data_1lr1_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 1lr1 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.578 0.228 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -79.06 -22.9 44.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.793 0.806 . . . . 0.0 110.506 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.626 HD11 ' ND2' ' B' ' 37' ' ' ASN . 2.1 mm? -84.52 -46.19 11.85 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.384 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.23 -23.66 37.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.242 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 9.1 tt -53.85 -50.8 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 122.087 0.946 . . . . 0.0 109.876 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.651 HD11 HD23 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -102.73 -9.72 19.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.911 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.75 25.78 15.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.509 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.627 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.1 m120 67.5 128.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.865 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -52.16 -26.69 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.383 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.4 ptt180 -52.64 -50.1 63.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.634 0.254 . . . . 0.0 111.596 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 15.0 t -84.34 -33.96 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.719 0.295 . . . . 0.0 111.63 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.664 ' HA ' HE21 ' A' ' 16' ' ' GLN . 4.8 tt -61.68 -57.73 10.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.413 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.798 ' HG3' HD23 ' B' ' 22' ' ' LEU . 73.5 ttt180 -48.48 -27.72 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.462 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 -50.13 7.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.116 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.664 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.9 pt20 -64.48 -33.51 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.49 0.662 . . . . 0.0 109.865 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 24' ' ' THR . . . -85.98 -22.56 27.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.389 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.4 ttt-85 -43.98 -31.41 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.8 35.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.42 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' ALA . 81.2 p -168.49 -162.83 0.42 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.622 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.643 HG21 ' H ' ' A' ' 23' ' ' GLU . 86.0 m -89.04 155.43 19.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.317 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.795 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -60.86 -12.7 11.82 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.643 ' H ' HG21 ' A' ' 21' ' ' THR . 89.2 tt0 -39.17 -25.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.589 0.233 . . . . 0.0 110.797 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.533 HG21 ' HB3' ' A' ' 17' ' ' ALA . 70.1 p -50.8 -40.33 55.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.64 -43.78 75.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.872 178.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.8 ' HG3' HG13 ' B' ' 10' ' ' ILE . 27.8 tt0 -57.58 -23.62 51.7 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.7 tp10 -83.95 -54.17 5.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.748 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.503 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.4 mtt -90.24 -46.78 8.2 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.678 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 15.3 tp -61.26 -40.76 95.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.846 ' HB2' HG22 ' B' ' 10' ' ' ILE . 81.2 tt0 -62.76 -34.88 78.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.909 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.643 ' HA ' HG21 ' A' ' 34' ' ' VAL . 66.4 mmtt -86.5 -26.56 24.53 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.685 0.755 . . . . 0.0 109.727 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.967 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 53.4 tp -69.67 -24.86 63.67 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.065 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.796 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -86.21 -35.84 19.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.407 178.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.643 HG21 ' HA ' ' A' ' 31' ' ' LYS . 12.4 m -70.18 -36.5 68.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 32' ' ' LEU . 7.5 p -59.92 -50.8 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.921 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.2 p -75.72 -18.95 15.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.777 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.624 ' ND2' HD11 ' B' ' 4' ' ' LEU . 30.4 t-20 -57.36 -48.43 79.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.42 -42.95 82.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.315 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.076 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.01 -30.87 69.35 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.359 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.78 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -65.91 -43.84 86.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.94 -28.62 27.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.429 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 52.1 mt-10 -86.6 -39.74 15.85 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.079 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.7 mm-40 -62.3 -45.34 93.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.753 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -69.23 -44.19 72.53 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.47 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.121 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.786 179.712 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.504 0.192 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' GLU . . . -79.02 -22.98 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.891 0.853 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.624 HD11 ' ND2' ' A' ' 37' ' ' ASN . 2.0 mm? -84.44 -46.2 11.91 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.403 -1.272 . . . . 0.0 110.429 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -81.32 -23.54 37.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.217 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 9.1 tt -53.88 -50.95 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 122.095 0.95 . . . . 0.0 109.75 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -102.69 -9.57 19.94 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 113.71 -1.587 . . . . 0.0 108.964 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.68 25.64 15.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.614 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.1 m120 67.69 128.82 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -52.15 -26.7 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.362 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' B' ' 12' ' ' THR . 38.3 ptt180 -52.74 -50.02 64.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.617 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 15.0 t -84.28 -34.1 23.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.612 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.673 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.8 tt -61.71 -57.6 11.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.435 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.784 ' HG3' HD23 ' A' ' 22' ' ' LEU . 73.5 ttt180 -48.54 -27.67 2.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.789 0.328 . . . . 0.0 111.415 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.44 -50.33 7.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.141 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.673 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -64.29 -33.61 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.541 0.686 . . . . 0.0 109.909 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' B' ' 24' ' ' THR . . . -85.91 -22.64 27.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.35 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.3 ttt-85 -43.96 -31.39 0.88 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.75 35.49 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.414 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.41 ' N ' ' O ' ' B' ' 17' ' ' ALA . 82.1 p -168.44 -162.8 0.42 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.889 0.376 . . . . 0.0 111.717 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.648 HG21 ' H ' ' B' ' 23' ' ' GLU . 86.2 m -89.07 155.46 19.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.803 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -60.94 -12.76 12.31 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.296 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.648 ' H ' HG21 ' B' ' 21' ' ' THR . 89.2 tt0 -39.01 -25.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 17' ' ' ALA . 69.7 p -50.85 -40.4 55.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.47 -43.93 75.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.91 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.819 ' HG3' HG13 ' A' ' 10' ' ' ILE . 27.8 tt0 -57.56 -23.57 51.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.7 tp10 -84.04 -54.08 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.739 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 64.5 mtt -90.34 -46.64 8.26 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.669 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 15.3 tp -61.26 -40.88 95.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.865 ' HB2' HG22 ' A' ' 10' ' ' ILE . 81.3 tt0 -62.7 -34.78 77.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.642 ' HA ' HG21 ' B' ' 34' ' ' VAL . 66.4 mmtt -86.64 -26.45 24.35 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.967 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 53.5 tp -69.75 -24.72 63.57 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.157 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.794 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.31 -35.85 19.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.336 178.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.642 HG21 ' HA ' ' B' ' 31' ' ' LYS . 12.6 m -70.25 -36.54 67.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.77 HG12 ' HA ' ' B' ' 32' ' ' LEU . 7.4 p -59.77 -50.89 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.921 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.2 p -75.66 -18.97 15.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.741 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.626 ' ND2' HD11 ' A' ' 4' ' ' LEU . 30.2 t-20 -57.42 -48.39 79.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.53 -42.8 82.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.366 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.079 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.1 -30.72 69.07 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.357 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.777 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 0.3 OUTLIER -66.16 -43.66 86.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.513 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.95 -28.71 27.62 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 52.1 mt-10 -86.53 -39.87 15.81 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 1.076 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.7 mm-40 -62.2 -45.36 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.758 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.39 -33.9 66.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -69.22 -44.31 72.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.463 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 179.749 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 86.6 tt0 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 120.682 0.277 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -74.79 -22.02 58.98 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.925 0.869 . . . . 0.0 109.914 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.45 14.03 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.776 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 45.4 tptt -80.1 -25.02 40.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.554 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.49 -56.7 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-O 121.71 0.767 . . . . 0.0 109.058 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -91.18 -11.67 37.68 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.537 179.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.457 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 20.0 t-20 64.06 34.95 10.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.428 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 59.01 129.09 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.764 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.8 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -55.8 -28.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.929 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.0 ptp180 -58.48 -52.9 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 98.5 m -73.15 -34.11 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.291 0.567 . . . . 0.0 110.58 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 24' ' ' THR . 6.1 tp -62.01 -60.19 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.427 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' B' ' 22' ' ' LEU . 72.5 ttt180 -45.62 -24.92 0.39 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.759 0.314 . . . . 0.0 111.386 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.17 -50.12 7.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.607 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.543 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -66.17 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.38 0.61 . . . . 0.0 110.117 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 13' ' ' LEU . . . -86.52 -20.48 27.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.404 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 41.1 ttt85 -43.92 -29.76 0.61 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.516 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.0 39.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.485 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -163.5 -166.6 1.25 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.961 0.41 . . . . 0.0 111.456 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 22' ' ' LEU . 38.7 m -96.92 162.2 13.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.683 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.964 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.39 -15.34 10.28 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.515 0.198 . . . . 0.0 110.586 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.49 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.559 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.665 HG21 HD11 ' A' ' 13' ' ' LEU . 5.2 t -52.22 -43.03 64.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.891 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD21 HD12 ' A' ' 22' ' ' LEU . 1.2 pp -68.11 -42.81 79.7 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.753 ' HG2' HG13 ' B' ' 10' ' ' ILE . 3.7 tm-20 -54.17 -26.62 28.92 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 50.5 mt-10 -83.19 -48.97 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.837 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.452 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 20.5 mmt -89.27 -49.93 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.963 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.719 HD23 HD11 ' B' ' 7' ' ' LEU . 61.8 tp -56.0 -36.56 68.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.409 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HB2' HG22 ' B' ' 10' ' ' ILE . 42.4 tt0 -69.43 -33.25 72.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.531 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.642 ' HA ' HG21 ' A' ' 34' ' ' VAL . 60.0 mmtt -87.45 -32.23 19.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.721 0.772 . . . . 0.0 110.215 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.874 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 23.0 tp -67.44 -23.49 65.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.755 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.681 ' N ' HD21 ' B' ' 32' ' ' LEU . 1.8 pt-20 -85.32 -40.78 16.16 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.049 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.642 HG21 ' HA ' ' A' ' 31' ' ' LYS . 25.8 m -68.62 -37.09 77.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.244 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.773 HG12 ' HA ' ' A' ' 32' ' ' LEU . 6.4 p -56.02 -47.6 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.655 ' H ' HG11 ' A' ' 35' ' ' VAL . 8.0 p -83.48 -20.37 9.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.007 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 31.2 t30 -56.5 -38.77 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.9 -41.79 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.049 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.804 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.79 -49.92 23.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.417 0.627 . . . . 0.0 110.53 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.599 ' NH2' HG13 ' B' ' 35' ' ' VAL . 2.9 mmt-85 -47.04 -39.01 11.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -87.15 -54.84 4.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 56.2 mt-10 -88.51 -39.35 14.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.804 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 66.2 mm-40 -72.85 -42.67 63.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.869 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -55.14 -33.66 63.09 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -62.43 -43.93 97.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 0.0 109.215 177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.829 178.549 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.585 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.2 tp10 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 120.494 0.187 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.496 ' HA ' HG22 ' B' ' 6' ' ' ILE . . . -86.05 -24.42 26.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.689 0.756 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.535 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.4 mm? -86.29 -42.05 14.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.913 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -83.31 -23.5 32.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.753 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.585 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 6.0 tt -53.92 -50.93 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.856 0.836 . . . . 0.0 109.637 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.719 HD11 HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -101.75 -4.61 26.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.122 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 50.97 37.29 17.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.257 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.526 ' C ' HD12 ' B' ' 7' ' ' LEU . 2.5 m120 62.82 130.01 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.13 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.753 HG13 ' HG2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.34 -31.32 26.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.567 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.481 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -55.51 -50.59 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.8 m -72.67 -35.69 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' B' ' 17' ' ' ALA . 4.2 tp -62.8 -59.54 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.508 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' B' ' 18' ' ' ARG . 75.8 mtp180 -43.6 -27.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.034 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.621 ' HA ' ' HG2' ' B' ' 18' ' ' ARG . . . -83.72 -49.34 9.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.826 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.749 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -66.81 -25.61 66.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.399 0.618 . . . . 0.0 110.008 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.817 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -85.6 -18.87 32.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.583 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.621 ' HG2' ' HA ' ' B' ' 15' ' ' ALA . 23.7 mmm180 -39.87 -31.05 0.1 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.193 0.52 . . . . 0.0 109.688 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.82 49.08 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.131 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 17' ' ' ALA . 46.7 t -173.33 152.6 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.575 HG22 ' H ' ' B' ' 22' ' ' LEU . 27.4 m -72.36 167.68 19.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.865 HD11 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -56.73 -14.97 3.77 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.767 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -40.31 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.611 0.243 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.7 t -53.92 -42.18 68.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.238 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.865 HD21 HD11 ' B' ' 22' ' ' LEU . 1.1 pp -68.27 -43.44 77.79 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 110.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.709 ' N ' HD12 ' B' ' 25' ' ' LEU . 37.6 tt0 -58.22 -23.77 56.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.1 tt0 -83.87 -53.33 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.634 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 21.2 mmt -89.85 -49.22 6.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.373 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' B' ' 25' ' ' LEU . 22.1 tp -60.84 -33.99 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.533 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.8 ' HB2' HG22 ' A' ' 10' ' ' ILE . 32.2 tt0 -66.61 -33.46 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.707 ' HA ' HG21 ' B' ' 34' ' ' VAL . 27.1 mmtp -85.3 -28.34 25.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.739 0.78 . . . . 0.0 109.533 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.874 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.4 tp -64.73 -26.61 68.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.579 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.717 ' HB3' HD23 ' A' ' 32' ' ' LEU . 12.2 pt-20 -85.67 -39.45 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.696 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' B' ' 31' ' ' LYS . 14.2 m -65.12 -34.59 71.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.789 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 27.5 m -55.84 -45.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HA ' ' HB2' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -81.44 -20.35 10.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.9 t-20 -53.61 -36.58 62.13 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -82.11 -44.2 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.227 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.4 -56.27 7.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.902 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.766 HH21 HG21 ' A' ' 35' ' ' VAL . 20.5 mmt180 -46.65 -38.85 10.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -86.11 -50.81 6.74 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.4 tt0 -88.75 -42.57 11.86 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.897 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 44.4 mm-40 -70.25 -45.04 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.93 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -55.12 -33.27 62.72 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.8 -43.28 96.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.497 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.1 178.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.565 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 5.5 tp10 . . . . . 0 C--O 1.227 -0.104 0 CA-C-O 120.74 0.305 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 6' ' ' ILE . . . -78.59 -26.6 45.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 122.105 0.955 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.3 mm? -84.59 -40.71 17.2 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.303 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 44.9 tptt -76.19 -36.35 58.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.583 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.86 -53.42 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 122.523 1.154 . . . . 0.0 108.548 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD21 HG23 ' A' ' 10' ' ' ILE . 2.3 tt -75.18 -27.06 59.5 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.933 -1.94 . . . . 0.0 108.741 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.15 6.19 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.527 ' CA ' HD23 ' A' ' 7' ' ' LEU . 71.6 m-80 67.98 124.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.399 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.837 HG23 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -50.03 -27.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.509 -179.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -53.79 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.24 . . . . 0.0 111.343 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -86.98 -29.79 21.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 111.042 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.811 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.6 tt -61.72 -60.3 3.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.649 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 68.9 mtp180 -44.89 -31.86 1.4 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.946 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.43 13.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.728 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 13' ' ' LEU . 24.9 pt20 -63.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.76 0.791 . . . . 0.0 109.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -86.4 -20.88 27.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.636 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.5 ttt-85 -44.82 -32.07 1.44 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -91.63 31.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.432 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 58.7 m -164.69 -162.85 0.68 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 111.319 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.565 HG21 ' N ' ' A' ' 22' ' ' LEU . 43.2 m -92.05 160.72 15.09 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.786 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -59.67 -13.98 12.02 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.438 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.91 -25.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.63 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.646 HG23 HD21 ' A' ' 13' ' ' LEU . 5.0 t -51.0 -42.2 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.8 -41.81 78.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.707 ' N ' HD11 ' A' ' 25' ' ' LEU . 81.7 tt0 -55.8 -24.5 36.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 tt0 -84.27 -53.64 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.02 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.483 ' HE1' ' OE2' ' A' ' 27' ' ' GLU . 23.1 mmt -88.96 -46.59 8.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.112 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.667 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 38.6 tp -60.67 -23.06 64.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.719 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.635 ' HB2' HG23 ' B' ' 10' ' ' ILE . 32.2 tt0 -78.0 -32.45 51.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.86 ' HA ' HG23 ' A' ' 34' ' ' VAL . 26.1 mmtp -86.62 -33.61 20.09 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.692 0.758 . . . . 0.0 109.866 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.92 HD23 ' HB3' ' B' ' 33' ' ' GLU . 12.0 tp -64.66 -25.5 67.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.195 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.661 ' N ' HD21 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.99 -43.87 13.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.771 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.86 HG23 ' HA ' ' A' ' 31' ' ' LYS . 27.1 m -64.64 -31.76 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.498 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.756 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 26.9 m -56.43 -45.14 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.651 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -76.28 -35.15 27.0 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.837 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' OD1' HD13 ' B' ' 4' ' ' LEU . 51.6 t30 -42.83 -39.53 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.51 -46.01 34.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.519 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.8 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.09 -52.34 14.64 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 121.116 0.484 . . . . 0.0 110.901 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.0 mmm180 -43.13 -38.76 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.14 -0.35 . . . . 0.0 110.347 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.49 -45.34 11.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.5 mm-40 -84.8 -43.9 13.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.956 0.408 . . . . 0.0 112.029 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.002 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.2 tm-20 -55.96 -47.84 76.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -55.85 -36.14 67.21 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.08 -40.58 90.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.984 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.418 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.559 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 . . . . . 0 C--O 1.227 -0.108 0 CA-C-O 120.819 0.342 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.651 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -79.04 -19.98 50.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -82.22 -43.14 18.02 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.915 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.726 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.7 tmtt? -84.7 -23.17 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 3.7 tt -52.99 -45.47 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.586 0.708 . . . . 0.0 109.418 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.693 HD12 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.11 -9.27 17.9 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.59 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.35 34.39 13.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.575 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 62.2 126.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.788 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -53.38 -28.72 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.462 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.3 ptt180 -59.4 -48.32 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.3 m -79.8 -39.92 29.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.59 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.666 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -64.18 -53.52 48.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.473 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.745 ' HG2' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -48.59 -29.32 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.15 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.24 -50.88 6.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.666 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.1 pt20 -63.45 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.525 0.678 . . . . 0.0 109.969 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' B' ' 13' ' ' LEU . . . -85.61 -24.09 27.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.256 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.1 ttt-85 -46.05 -32.09 2.65 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -84.26 26.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -161.81 -155.35 0.38 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.369 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.627 HG21 ' H ' ' B' ' 22' ' ' LEU . 49.0 m -96.32 158.35 15.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.806 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.4 OUTLIER -60.83 -13.33 14.73 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.437 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' NH1' ' A' ' 14' ' ' ARG . 43.3 tt0 -40.03 -25.38 0.02 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.624 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.626 HG23 HD23 ' B' ' 13' ' ' LEU . 4.6 t -51.74 -37.95 53.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.33 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 0.7 OUTLIER -67.73 -44.51 77.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.125 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.823 ' HG3' HG13 ' A' ' 10' ' ' ILE . 26.0 tt0 -58.65 -21.69 54.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.8 tp10 -82.97 -56.17 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.721 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.3 mmt -90.93 -45.87 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.892 HD12 HD22 ' A' ' 32' ' ' LEU . 44.3 tp -62.67 -40.65 97.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.992 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' B' ' 26' ' ' GLU . 40.4 tt0 -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 111.082 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG21 ' B' ' 34' ' ' VAL . 24.5 mmtp -86.09 -25.13 26.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.594 0.711 . . . . 0.0 109.095 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.852 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.0 tp -67.8 -26.48 66.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.798 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.92 ' HB3' HD23 ' A' ' 32' ' ' LEU . 14.3 pt-20 -83.84 -38.56 21.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.97 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' B' ' 31' ' ' LYS . 26.2 m -72.08 -38.17 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.3 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.811 HG13 ' HA ' ' B' ' 32' ' ' LEU . 7.2 p -55.97 -48.94 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.698 ' H ' HG12 ' B' ' 35' ' ' VAL . 7.5 p -79.36 -32.52 14.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.755 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.561 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 33.7 t30 -42.72 -43.16 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 109.717 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.27 -42.45 93.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.749 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.002 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.11 -49.73 22.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.567 179.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.565 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 7.1 mmm180 -45.06 -41.39 7.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.861 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.59 ' HG3' ' HG3' ' B' ' 42' ' ' GLU . 16.8 pt-20 -88.06 -46.53 9.25 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.59 ' HG3' ' HG3' ' B' ' 41' ' ' GLU . 55.8 mt-10 -87.27 -43.97 11.78 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.8 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 25.4 tp10 -59.56 -45.8 90.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.786 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -57.97 -35.54 71.31 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -64.31 -41.61 96.75 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.998 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.398 179.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.7 tt0 . . . . . 0 C--O 1.222 -0.344 0 CA-C-O 120.576 0.227 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 6' ' ' ILE . . . -78.86 -26.73 44.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.918 0.866 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.3 mm? -84.89 -37.37 20.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.392 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.652 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.18 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.584 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -53.67 -53.11 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.487 0.66 . . . . 0.0 109.617 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -95.64 -8.58 34.44 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.031 178.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 62.76 28.65 16.58 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.536 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 3.7 m120 63.51 129.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.174 0.511 . . . . 0.0 111.68 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.667 HG22 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -59.69 -21.09 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.591 179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.536 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 39.0 ptt180 -60.19 -55.82 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 13' ' ' LEU . 14.8 t -78.74 -31.97 46.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.628 ' O ' HD21 ' A' ' 13' ' ' LEU . 5.8 tt -61.4 -46.07 91.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.227 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.536 ' NH1' ' HB3' ' B' ' 23' ' ' GLU . 24.4 tpt180 -43.14 -38.74 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.631 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.498 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . . . -87.25 -41.36 13.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.042 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.445 HE21 ' HA ' ' A' ' 13' ' ' LEU . 5.5 tt0 -55.63 -42.02 74.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.027 0.917 . . . . 0.0 109.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HB1' HD12 ' B' ' 22' ' ' LEU . . . -88.41 -19.69 26.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . 29.3 tpt180 -44.34 -30.0 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.191 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -94.05 35.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.446 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 80.8 p -169.7 -163.55 0.39 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.046 0.451 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.708 HG21 ' H ' ' A' ' 22' ' ' LEU . 28.2 m -96.9 165.89 11.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.875 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -59.81 -15.08 18.03 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.585 0.231 . . . . 0.0 110.485 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -40.48 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.784 0.326 . . . . 0.0 110.574 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.6 -42.08 64.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.69 -44.96 80.32 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.985 0.422 . . . . 0.0 110.083 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.711 ' N ' HD12 ' A' ' 25' ' ' LEU . 37.9 tt0 -54.33 -25.91 26.71 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.68 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.0 mm-40 -82.8 -52.72 6.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.969 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.6 mtt -88.93 -46.36 8.96 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.234 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD12 HD23 ' B' ' 32' ' ' LEU . 14.2 tp -52.6 -42.02 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.371 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 34' ' ' VAL . 21.8 tp10 -64.06 -31.33 72.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.518 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.766 ' HA ' HG21 ' A' ' 34' ' ' VAL . 23.6 mmtp -85.19 -36.49 20.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.067 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.959 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 33.9 tp -66.63 -21.57 66.12 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.843 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.653 ' N ' HD22 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -85.94 -44.02 12.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.312 179.109 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.766 HG21 ' HA ' ' A' ' 31' ' ' LYS . 32.9 m -68.6 -34.99 68.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.184 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.778 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 7.3 p -55.92 -50.29 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.995 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 8.1 p -80.62 -19.47 11.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.117 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 52.1 t30 -54.61 -41.77 70.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.45 -42.41 62.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.197 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.015 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.75 -48.28 66.87 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.475 0.655 . . . . 0.0 110.889 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 4.3 mmm180 -48.19 -44.45 32.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.714 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 12.4 pt-20 -84.4 -35.26 23.24 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 43.6 tp10 -77.27 -39.6 47.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 111.59 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.992 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 24.0 mm-40 -59.61 -47.36 85.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -34.82 68.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -67.84 -41.48 82.9 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.464 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.925 179.68 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.561 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 96.0 mt-10 . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.482 ' HA ' HG23 ' B' ' 6' ' ' ILE . . . -71.52 -27.38 63.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.816 0.817 . . . . 0.0 110.401 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.558 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.9 mm? -84.01 -41.98 16.68 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.417 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.649 ' HD2' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -85.06 -23.33 28.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.532 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -54.61 -60.63 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.664 HD13 HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -85.53 -10.86 55.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.133 178.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 61.02 33.99 19.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.672 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 3.3 m120 61.65 127.24 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.573 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.664 HG22 HD13 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -58.25 -28.18 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.28 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.581 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.0 ptt180 -59.74 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.992 0.425 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 95.3 m -78.01 -38.24 45.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.072 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.707 HD23 HG22 ' B' ' 24' ' ' THR . 6.2 tt -62.54 -52.83 61.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.307 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.875 ' HG3' HD21 ' A' ' 22' ' ' LEU . 43.3 ttt-85 -47.5 -31.51 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.352 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.75 -50.16 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.617 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 12.2 pt20 -62.42 -33.97 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.492 0.663 . . . . 0.0 109.837 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.607 ' HB2' HD21 ' B' ' 13' ' ' LEU . . . -85.73 -23.92 27.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.216 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.9 tpt180 -45.09 -31.57 1.43 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.013 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.2 29.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.419 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.2 p -165.12 -156.02 0.28 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.935 0.398 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.571 HG21 ' N ' ' B' ' 22' ' ' LEU . 27.3 m -99.5 164.89 11.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.787 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.777 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.58 -14.09 11.94 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.536 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 16.7 pt-20 -40.04 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.707 HG22 HD23 ' B' ' 13' ' ' LEU . 4.1 t -52.29 -41.09 62.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.117 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -69.33 -45.14 70.19 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.151 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.728 ' N ' HD11 ' B' ' 25' ' ' LEU . 28.8 tt0 -55.11 -25.12 29.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 24.3 tt0 -83.37 -54.03 5.29 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.193 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.06 -46.27 8.98 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' B' ' 25' ' ' LEU . 43.9 tp -55.65 -39.23 70.62 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.531 ' O ' HG13 ' B' ' 34' ' ' VAL . 42.6 tt0 -65.17 -29.42 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.826 ' HA ' HG23 ' B' ' 34' ' ' VAL . 25.6 mmtp -87.43 -32.22 19.63 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.601 0.715 . . . . 0.0 109.737 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.959 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 40.9 tp -67.32 -23.63 65.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.764 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.873 ' HB3' HD21 ' A' ' 32' ' ' LEU . 11.2 pt-20 -85.64 -41.03 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.787 178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.826 HG23 ' HA ' ' B' ' 31' ' ' LYS . 24.7 m -68.36 -35.16 69.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.13 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.748 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.3 p -56.83 -49.63 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.995 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.3 p -81.13 -18.95 11.61 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.054 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 50.1 t30 -56.72 -42.9 80.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.531 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 57.0 mm-40 -69.89 -43.23 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.849 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.992 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.07 -50.99 51.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.494 0.664 . . . . 0.0 110.453 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' B' ' 36' ' ' VAL . 5.4 mmm180 -44.91 -43.39 8.88 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.311 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -79.96 -41.31 26.23 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 44.1 tp10 -77.88 -42.01 34.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.201 0.524 . . . . 0.0 111.661 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 1.015 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 13.0 mm-40 -54.84 -48.68 72.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -57.46 -35.45 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -67.06 -40.56 87.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.233 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.576 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.68 ' H ' HH12 ' B' ' 40' ' ' ARG . 39.4 tt0 . . . . . 0 C--O 1.224 -0.286 0 CA-C-O 120.638 0.256 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' B' ' 40' ' ' ARG . . . -76.04 -25.98 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.853 0.835 . . . . 0.0 110.375 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -84.98 -40.35 17.02 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.372 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.31 -21.66 30.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.697 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.727 HD12 ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.56 -49.25 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-O 121.88 0.848 . . . . 0.0 109.118 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.736 HD12 HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.76 -10.88 22.47 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.946 179.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.9 31.43 11.48 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.757 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.7 m120 60.04 126.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.736 HG22 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -56.03 -27.1 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.628 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 35.3 ptt180 -62.15 -53.37 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.3 m -70.25 -33.06 71.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.326 0.584 . . . . 0.0 110.218 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.769 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.8 tp -63.19 -56.4 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.809 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.2 tpt180 -45.05 -28.64 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.36 -49.81 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.482 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.769 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.4 pt20 -65.1 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 109.817 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.49 -19.01 30.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -43.25 -30.61 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.732 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -101.56 41.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.661 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' ALA . 46.7 t -172.64 171.7 4.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -73.21 175.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.494 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.793 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -72.72 -13.93 61.45 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.439 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.596 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 39.2 tt0 -39.83 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.0 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.0 t -51.53 -39.98 58.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.101 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -68.28 -44.0 76.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.026 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.709 ' N ' HD12 ' A' ' 25' ' ' LEU . 68.7 tt0 -54.2 -25.33 22.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 45.0 mm-40 -82.87 -54.54 5.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.782 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.523 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 21.4 mmt -89.3 -46.32 8.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.235 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 25' ' ' LEU . 25.2 tp -56.16 -39.71 72.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.09 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' B' ' 10' ' ' ILE . 40.9 tt0 -65.22 -29.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.443 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.757 ' HA ' HG23 ' A' ' 34' ' ' VAL . 62.9 mmtt -87.97 -37.77 16.11 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.748 0.785 . . . . 0.0 110.275 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.906 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 18.0 tp -61.35 -24.47 66.48 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.485 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.691 ' HB3' HD23 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -84.64 -29.02 26.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.757 HG23 ' HA ' ' A' ' 31' ' ' LYS . 10.6 t -68.25 -44.17 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.765 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 17.4 m -51.61 -42.44 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.692 HG12 HG23 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -86.98 -20.46 7.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.407 177.144 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.596 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 11.9 t-20 -57.46 -41.02 79.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.63 ' HG3' ' HD2' ' A' ' 39' ' ' ARG . 10.7 pt-20 -82.87 -42.18 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.316 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.765 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.02 -56.36 7.16 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 16.6 mmm180 -45.66 -38.72 7.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.559 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.31 -42.9 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 67.5 mm-40 -84.46 -43.84 14.23 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.998 0.428 . . . . 0.0 112.014 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.084 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 5.1 tp10 -59.97 -48.7 80.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.16 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -53.73 -34.27 58.36 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -68.43 -43.54 76.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.364 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.12 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.504 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.7 tt0 . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 120.635 0.255 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 36' ' ' VAL . . . -74.64 -22.86 58.69 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.969 0.89 . . . . 0.0 110.295 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -84.29 -44.98 13.31 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.154 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.671 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -81.11 -25.83 36.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.314 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.616 ' CG2' ' H ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -53.3 -61.4 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.713 HD13 HD12 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -83.85 -9.96 58.37 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.041 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 34.84 20.46 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.324 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 60.82 128.62 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.516 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.702 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -57.42 -27.86 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.711 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -56.84 -51.15 70.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.504 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.0 m -82.64 -37.42 24.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.519 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.825 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.1 tt -62.76 -56.79 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.776 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 30.7 ttt85 -44.0 -34.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.322 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.98 -48.55 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.331 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.825 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.2 pt20 -61.83 -36.8 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.739 0.78 . . . . 0.0 109.787 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' B' ' 13' ' ' LEU . . . -86.45 -22.12 26.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.623 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.9 tpt180 -46.19 -31.03 2.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.928 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.44 28.83 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.422 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -165.25 -157.76 0.35 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.285 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.4 p -92.94 166.65 12.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.381 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.894 HD12 HD22 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -63.05 -13.73 39.39 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.001 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -38.96 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.622 0.248 . . . . 0.0 110.842 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.525 HG21 HD11 ' B' ' 13' ' ' LEU . 51.7 m -51.56 -43.4 62.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.894 HD22 HD12 ' B' ' 22' ' ' LEU . 1.3 pp -68.41 -44.46 74.97 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.239 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.715 ' N ' HD13 ' B' ' 25' ' ' LEU . 34.0 tt0 -56.44 -24.78 47.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.3 tp10 -83.49 -57.4 3.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.942 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.473 ' O ' HD13 ' B' ' 6' ' ' ILE . 65.8 mtt -89.31 -45.17 9.7 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 32' ' ' LEU . 60.7 tp -58.97 -29.42 67.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.683 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.67 ' HB2' HG21 ' A' ' 10' ' ' ILE . 34.2 tt0 -71.35 -31.33 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 110.427 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.828 ' HA ' HG22 ' B' ' 34' ' ' VAL . 57.3 mmtt -86.34 -27.59 24.2 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.609 0.719 . . . . 0.0 109.595 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.906 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 18.9 tp -68.07 -26.05 65.65 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.659 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.898 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.9 pt-20 -84.19 -35.49 23.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.51 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.828 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.1 m -71.54 -37.85 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.236 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.692 HG23 HG12 ' A' ' 36' ' ' VAL . 16.4 m -55.22 -48.01 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.655 ' H ' HG21 ' B' ' 35' ' ' VAL . 5.9 p -82.45 -19.59 10.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.644 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 35.4 t30 -57.77 -37.97 74.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -74.54 -40.39 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.454 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.084 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -75.27 -48.03 25.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.281 0.562 . . . . 0.0 110.77 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.68 HH12 ' H ' ' A' ' 2' ' ' GLU . 1.3 mmm-85 -46.01 -41.06 11.42 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.014 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -86.71 -45.5 10.9 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.46 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 4.9 mm-40 -87.78 -46.74 9.19 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.705 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 28.6 tp10 -62.57 -47.03 85.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -59.03 -32.62 69.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -65.71 -41.49 92.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.258 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.451 179.423 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.762 0.315 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.721 ' HB1' ' HB ' ' B' ' 36' ' ' VAL . . . -75.67 -20.82 58.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.895 0.855 . . . . 0.0 110.036 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.47 -45.05 11.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.222 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -80.54 -24.42 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.363 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.55 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -53.33 -55.73 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.85 0.833 . . . . 0.0 109.283 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.595 HD12 HD23 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -7.44 48.2 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.577 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 61.78 33.09 17.99 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.558 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.615 ' HB3' HH11 ' A' ' 11' ' ' ARG . 2.9 m120 63.84 129.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.135 0.493 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.734 HD12 ' HB2' ' B' ' 30' ' ' GLU . 16.4 pt -55.81 -26.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.211 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.615 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.2 ptp85 -53.88 -54.16 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.45 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 13.1 t -88.41 -31.04 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HA ' HE21 ' A' ' 16' ' ' GLN . 1.7 tm? -62.2 -53.85 49.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.672 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.86 ' HA ' HD13 ' B' ' 22' ' ' LEU . 22.4 ptt85 -53.24 -31.58 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.965 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.21 -50.88 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.4 pt20 -61.46 -33.64 74.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 109.769 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 13' ' ' LEU . . . -86.21 -22.83 26.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.159 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.61 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.9 tpt85 -48.72 -31.81 7.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.721 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 16.4 pt-20 -58.67 -37.88 76.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -96.96 -137.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.9 m -123.81 -176.81 3.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -59.98 -16.75 33.01 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.061 0.458 . . . . 0.0 110.281 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.9 tt0 -43.53 -26.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.348 0.594 . . . . 0.0 110.109 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 17' ' ' ALA . 5.1 t -57.96 -40.57 80.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.759 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' B' ' 25' ' ' LEU . 1.1 pp -70.31 -45.25 66.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.492 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.738 ' N ' HD11 ' A' ' 25' ' ' LEU . 15.7 pt-20 -55.81 -22.93 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.2 tp10 -83.4 -55.48 4.29 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.638 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.26 -47.58 7.96 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.677 HD11 HD11 ' B' ' 29' ' ' LEU . 50.8 tp -55.08 -34.2 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.701 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.721 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 16.1 tp10 -66.63 -36.41 82.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 34' ' ' VAL . 57.0 mmtt -74.91 -25.45 58.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.76 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 tp -72.65 -29.44 63.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.892 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.721 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -84.45 -32.74 23.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.467 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.8 m -72.65 -40.83 62.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.293 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.736 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 11.5 m -52.95 -49.28 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.678 HG12 HD12 ' B' ' 32' ' ' LEU . 5.0 p -84.59 -18.44 9.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.802 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 21.8 t30 -56.82 -39.57 74.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.06 -40.5 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.796 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.922 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.94 -53.36 21.27 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.635 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.57 ' HG3' ' HB3' ' B' ' 3' ' ' ALA . 9.5 mmm180 -44.96 -42.4 8.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.43 -42.11 17.33 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 5.5 tp10 -84.23 -45.06 13.29 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.779 ' HG2' ' HG2' ' B' ' 43' ' ' GLU . 1.6 tm-20 -55.27 -49.92 70.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.265 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.8 m -57.68 -35.84 71.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -63.82 -41.04 97.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.062 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.691 179.515 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.645 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 54.4 mt-10 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.688 0.28 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.57 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . . . -75.07 -32.49 61.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.513 1.149 . . . . 0.0 109.559 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' B' ' 9' ' ' ASN . 1.2 mt -86.01 -47.76 9.29 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 112.984 -1.916 . . . . 0.0 110.328 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -71.91 -29.17 64.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.058 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -54.35 -49.11 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.287 1.041 . . . . 0.0 108.707 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' B' ' 9' ' ' ASN . 0.1 OUTLIER -91.1 -16.2 28.21 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.926 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER 60.59 30.04 19.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.548 -178.434 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.4 m120 63.11 125.81 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.642 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 30' ' ' GLU . 20.7 pt -51.57 -27.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.45 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.5 ptm180 -59.08 -51.21 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -80.74 -37.02 31.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 110.723 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.671 HD13 HD22 ' A' ' 25' ' ' LEU . 1.6 tm? -62.24 -49.81 74.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.45 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.762 ' HA ' HD13 ' A' ' 22' ' ' LEU . 25.4 ttt85 -52.09 -34.49 44.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.716 0.294 . . . . 0.0 111.565 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.88 -50.1 8.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.607 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.7 pt20 -63.29 -33.16 74.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 109.901 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' B' ' 13' ' ' LEU . . . -85.79 -22.74 27.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.6 tpt180 -48.95 -29.68 5.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.331 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 -138.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.667 HG23 ' H ' ' B' ' 22' ' ' LEU . 2.1 m -118.76 -161.88 0.87 Allowed 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.86 HD13 ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -69.95 -16.04 63.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.202 0.525 . . . . 0.0 109.764 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 89.1 tt0 -43.45 -25.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.446 0.641 . . . . 0.0 110.131 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.4 t -57.66 -40.12 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.507 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.781 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -69.92 -44.57 69.38 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.277 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.736 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 11.2 pt-20 -54.73 -22.57 14.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 79.7 tt0 -84.38 -54.96 4.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.29 -45.22 10.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.814 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.694 HD12 HD23 ' A' ' 32' ' ' LEU . 12.4 tp -60.32 -18.75 51.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.327 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.734 ' HB2' HD12 ' A' ' 10' ' ' ILE . 5.1 tp10 -82.37 -33.19 28.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.495 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.879 ' HA ' HG22 ' B' ' 34' ' ' VAL . 22.4 mmtp -86.13 -32.05 21.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.865 0.84 . . . . 0.0 109.479 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.76 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 10.3 tp -71.52 -22.87 61.72 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.296 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -86.38 -39.03 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.258 178.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.879 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.3 m -65.51 -37.38 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.175 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.763 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 19.4 m -53.14 -45.45 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.721 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -81.52 -20.87 10.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.6 177.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.48 ' OD1' HD11 ' A' ' 4' ' ' LEU . 32.8 t30 -58.23 -35.16 71.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.23 -42.47 17.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.249 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.763 ' HD2' ' O ' ' B' ' 35' ' ' VAL . 0.0 OUTLIER -73.17 -55.11 6.91 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.238 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.709 HH21 HG11 ' A' ' 35' ' ' VAL . 22.4 mmt180 -43.95 -38.46 3.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -86.14 -42.86 13.52 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 17.7 tp10 -85.15 -46.5 11.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.922 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -52.99 -50.69 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.1 m -58.09 -35.91 72.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -62.92 -41.37 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.386 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.587 179.495 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' B' ' 40' ' ' ARG . 43.6 tp10 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.898 0.38 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.7 -20.82 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.974 0.892 . . . . 0.0 110.004 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.67 -44.36 12.64 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.154 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.69 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -82.42 -23.89 34.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.22 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 3.6 tt -52.91 -56.48 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 CA-C-O 121.752 0.787 . . . . 0.0 109.29 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.556 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -92.55 -7.65 46.62 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.595 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' ' HB ' ' A' ' 12' ' ' THR . 74.7 m-80 60.1 31.37 20.55 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.027 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.482 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 2.7 m120 62.33 130.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.219 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -51.49 -26.09 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.716 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.3 ptt180 -61.67 -50.28 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.3 m -74.63 -40.45 61.5 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.708 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -62.98 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.829 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.9 tpt180 -46.27 -32.03 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.213 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.54 -49.9 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.708 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.23 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 109.976 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -86.57 -19.33 29.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.617 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -41.87 -30.22 0.25 Allowed 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.064 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -109.26 46.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.578 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' HG ' ' H ' ' A' ' 21' ' ' THR . 43.8 t -167.81 173.62 8.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 111.402 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.56 HG21 ' N ' ' A' ' 22' ' ' LEU . 43.6 m -78.42 160.15 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.798 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.42 -15.25 35.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.535 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -40.54 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.841 0.353 . . . . 0.0 110.465 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 t -52.0 -43.16 63.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.785 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' B' ' 25' ' ' LEU . 1.1 pp -66.81 -44.51 81.02 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.724 ' N ' HD12 ' A' ' 25' ' ' LEU . 32.1 tt0 -53.19 -26.97 19.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.3 tt0 -83.23 -50.4 8.45 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.012 178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -88.4 -48.99 7.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 111.834 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.668 ' N ' ' O ' ' A' ' 25' ' ' LEU . 40.9 tp -54.0 -39.79 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.017 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.681 ' HB2' HG21 ' B' ' 10' ' ' ILE . 37.4 tt0 -62.88 -32.87 74.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.942 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.675 ' HA ' HG23 ' A' ' 34' ' ' VAL . 25.4 mmtp -86.48 -29.65 22.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.678 0.751 . . . . 0.0 109.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.814 HD22 HD11 ' B' ' 29' ' ' LEU . 13.5 tp -67.26 -25.75 66.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.812 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.689 ' HB3' HD22 ' B' ' 32' ' ' LEU . 1.5 pp20? -86.02 -39.1 17.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.979 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -65.57 -36.42 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 36' ' ' VAL . 14.3 m -55.95 -48.8 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.613 ' HB ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -79.09 -20.34 12.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.523 178.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 46.6 t30 -55.44 -39.92 70.9 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -79.11 -42.64 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.444 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.884 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.66 -53.58 11.39 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.843 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.646 HH11 ' HA ' ' A' ' 40' ' ' ARG . 4.2 mmm180 -45.27 -39.44 6.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.12 -41.49 15.66 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.3 mm-40 -85.85 -46.05 10.99 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.74 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -54.68 -49.62 70.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -57.6 -36.1 71.31 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.57 -43.64 98.32 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.317 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.57 179.523 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.509 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 . . . . . 0 C--O 1.226 -0.148 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.521 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -77.22 -22.88 51.61 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.883 0.849 . . . . 0.0 110.287 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' B' ' 9' ' ' ASN . 1.6 mm? -84.95 -39.49 18.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.493 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.0 tptp -84.86 -25.58 27.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.521 HG21 ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -55.09 -48.23 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.579 0.704 . . . . 0.0 109.762 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.656 HD11 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -99.93 -11.85 20.3 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.258 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 64.4 m-80 66.85 29.81 8.15 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.537 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.8 m120 61.05 130.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.415 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.681 HG21 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -54.7 -26.35 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.696 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 34.1 ptt85 -62.4 -51.86 65.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.5 m -70.15 -36.8 74.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.782 ' HA ' HE21 ' B' ' 16' ' ' GLN . 9.2 tp -64.91 -55.02 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.93 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 33.9 tpt85 -44.93 -27.99 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.88 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.334 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.782 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.8 pt20 -63.88 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 0.0 109.86 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.678 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -86.25 -19.25 30.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.4 ttt180 -43.0 -27.15 0.17 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.341 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' B' ' 17' ' ' ALA . 11.8 pt-20 -112.62 44.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.406 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.2 p -166.55 -170.44 1.62 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.043 0.449 . . . . 0.0 111.717 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.633 HG21 ' H ' ' B' ' 22' ' ' LEU . 45.7 m -92.02 159.4 15.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.175 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.792 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -62.28 -13.78 31.96 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.609 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -39.61 -25.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.716 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.617 ' O ' ' HG2' ' B' ' 28' ' ' MET . 4.9 t -53.05 -41.65 65.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.945 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.822 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -66.76 -45.09 79.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.923 0.392 . . . . 0.0 110.285 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.738 ' N ' HD11 ' B' ' 25' ' ' LEU . 81.7 tt0 -56.47 -24.59 46.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.72 -57.37 3.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.937 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' B' ' 24' ' ' THR . 22.1 ptp -89.89 -44.84 9.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 32' ' ' LEU . 14.9 tp -58.8 -30.47 67.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.934 0.397 . . . . 0.0 110.192 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.842 ' HB2' HG23 ' A' ' 10' ' ' ILE . 40.5 tt0 -69.75 -33.41 72.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.827 ' HA ' HG21 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.01 -28.07 24.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.609 0.719 . . . . 0.0 109.712 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.776 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 14.2 tp -67.85 -25.76 65.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.088 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.705 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -86.08 -34.39 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.471 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.827 HG21 ' HA ' ' B' ' 31' ' ' LYS . 14.1 m -69.21 -36.99 75.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.608 ' N ' HG23 ' B' ' 34' ' ' VAL . 9.9 m -55.85 -46.05 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -80.19 -27.58 11.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.474 -0.491 . . . . 0.0 109.994 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.553 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.8 t-20 -46.66 -41.24 14.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.26 -46.5 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.122 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.74 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -70.89 -59.18 2.94 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.299 0.571 . . . . 0.0 111.57 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 36' ' ' VAL . 28.9 tpt85 -44.46 -38.49 4.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.051 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.86 -45.95 10.38 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 88.9 tt0 -79.43 -39.43 32.36 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.884 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.5 tm-20 -55.12 -48.31 73.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.076 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -57.13 -36.62 70.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -64.57 -41.54 96.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.306 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.536 179.669 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 5.4 tp10 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.708 0.289 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.54 -24.72 33.9 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.653 0.74 . . . . 0.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.692 HD12 HD21 ' B' ' 37' ' ' ASN . 1.9 mm? -84.27 -34.7 23.75 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.645 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.462 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 18.8 tptm -85.03 -29.31 25.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.42 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 4.4 tt -55.03 -45.8 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.349 0.595 . . . . 0.0 110.272 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -104.98 -8.56 18.49 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.736 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 72.9 m-80 63.54 35.8 11.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.816 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.625 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 61.37 127.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.198 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.79 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -59.75 -53.67 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.551 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -68.12 -33.72 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.733 HD21 HD13 ' B' ' 25' ' ' LEU . 5.7 tp -62.1 -59.61 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.492 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.77 ' HG2' HD22 ' B' ' 22' ' ' LEU . 79.1 mtp180 -43.46 -29.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.282 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 -49.86 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.993 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -67.42 -32.58 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.406 0.622 . . . . 0.0 110.259 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -86.33 -20.02 28.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.452 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 39.6 ttt85 -43.88 -28.01 0.4 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -108.38 40.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.599 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.9 m -164.29 -168.21 1.49 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.137 0.494 . . . . 0.0 111.57 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 22' ' ' LEU . 71.1 m -92.61 158.75 15.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.533 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.941 HD13 ' HA ' ' B' ' 14' ' ' ARG . 0.5 OUTLIER -58.23 -14.0 6.26 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -40.59 -25.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 110.63 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.0 t -52.13 -38.57 57.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.824 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.1 pp -70.97 -48.88 50.89 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.702 ' N ' HD11 ' A' ' 25' ' ' LEU . 12.6 pt-20 -55.8 -20.35 14.79 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.518 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.2 tt0 -82.99 -55.62 4.27 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.767 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 mmt -88.8 -45.37 9.81 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.636 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.795 HD11 HD22 ' B' ' 32' ' ' LEU . 19.6 tp -54.04 -38.93 65.73 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.624 ' HB2' ' CD1' ' B' ' 10' ' ' ILE . 33.4 tt0 -64.17 -33.64 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.36 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HA ' HG22 ' A' ' 34' ' ' VAL . 21.2 mmtp -86.08 -30.37 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.815 0.817 . . . . 0.0 109.625 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.903 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 24.3 tp -69.01 -24.51 64.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.934 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.883 ' HB3' HD23 ' B' ' 32' ' ' LEU . 14.5 pt-20 -86.19 -41.61 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.547 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 31' ' ' LYS . 21.6 m -63.86 -35.51 73.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.189 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.796 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 9.5 m -55.98 -50.39 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.15 -20.33 15.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.372 178.11 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.524 ' OD1' HD12 ' B' ' 4' ' ' LEU . 49.8 t30 -55.09 -40.95 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.92 -46.83 14.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.353 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.796 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -63.61 -51.81 63.63 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.1 mmm180 -50.94 -46.4 60.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.83 -36.82 73.07 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.32 -31.98 29.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.875 0.369 . . . . 0.0 111.805 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.058 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.9 mm-40 -67.64 -48.37 66.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -57.24 -31.98 66.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.67 61.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.769 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.562 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 94.4 mt-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 120.574 0.226 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.718 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . . . -70.64 -25.06 62.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.88 0.848 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -84.14 -45.9 12.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.529 -179.384 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.626 ' HD3' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -83.21 -21.47 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.744 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.626 ' N ' ' HD3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -54.63 -61.54 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.749 HD11 HG23 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -81.33 -10.07 59.63 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.466 ' HA ' ' HA ' ' B' ' 5' ' ' LYS . 50.7 t30 60.25 36.9 20.74 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.685 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.7 m120 61.27 128.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.443 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.749 HG23 HD11 ' B' ' 7' ' ' LEU . 22.6 pt -59.05 -32.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.738 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.1 ptm180 -52.22 -50.04 62.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.5 m -79.99 -35.51 37.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.447 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.847 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.3 tt -63.85 -58.89 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.088 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.941 ' HA ' HD13 ' A' ' 22' ' ' LEU . 12.1 ptm180 -46.9 -29.71 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.59 0.234 . . . . 0.0 110.973 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.51 -50.21 10.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.847 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.6 pt20 -63.41 -35.61 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.787 0.803 . . . . 0.0 109.738 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.578 ' HB2' HD22 ' B' ' 13' ' ' LEU . . . -86.05 -20.87 28.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 55.4 ttt-85 -44.23 -30.74 0.84 Allowed 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.18 34.3 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.365 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 17' ' ' ALA . 54.8 m -162.48 -162.65 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -96.34 165.27 12.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.879 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -56.69 -14.58 3.41 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.628 0.251 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -39.49 -29.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.834 0.349 . . . . 0.0 110.57 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.722 HG21 HD21 ' B' ' 13' ' ' LEU . 4.6 t -52.46 -43.71 65.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.315 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.879 HD21 HD12 ' B' ' 22' ' ' LEU . 1.3 pp -68.7 -44.83 73.12 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.79 ' HG3' HG13 ' A' ' 10' ' ' ILE . 38.9 tt0 -55.25 -23.04 20.64 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 28.0 tt0 -82.03 -52.41 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.5 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.658 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 23.8 mmt -89.47 -47.4 8.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.872 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.747 HD11 HD22 ' A' ' 32' ' ' LEU . 28.4 tp -56.37 -41.64 76.55 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.07 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.672 ' HB2' HG23 ' A' ' 10' ' ' ILE . 34.7 tt0 -63.14 -32.95 74.46 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.487 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG23 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.48 -31.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.665 0.745 . . . . 0.0 109.466 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.903 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 11.0 tp -68.31 -25.53 65.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.008 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 32' ' ' LEU . 15.2 pt-20 -86.0 -46.34 10.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.165 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.76 HG23 ' HA ' ' B' ' 31' ' ' LYS . 28.0 m -62.49 -33.73 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.649 HG21 HG11 ' A' ' 36' ' ' VAL . 7.7 p -58.75 -46.05 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.609 ' HB ' ' HG2' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -79.73 -20.45 12.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 121.184 0.516 . . . . 0.0 109.716 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.692 HD21 HD12 ' A' ' 4' ' ' LEU . 36.8 t-20 -55.21 -38.61 68.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.71 -40.77 24.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.248 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.058 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -71.92 -54.18 10.82 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.609 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 24.4 mmm180 -45.05 -40.57 6.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.27 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 24.8 pt-20 -85.67 -39.79 16.87 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.497 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 39.5 tt0 -84.82 -47.11 10.7 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.822 ' HG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -54.51 -49.73 69.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -59.03 -35.71 73.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.31 -41.45 98.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.295 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.579 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 54.9 mt-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 120.46 0.171 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.852 0.834 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.0 mm? -84.14 -44.36 14.08 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -80.49 -25.52 38.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.24 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.631 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 3.9 tt -56.02 -46.2 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.445 0.64 . . . . 0.0 109.96 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' B' ' 29' ' ' LEU . 0.1 OUTLIER -105.29 -15.12 15.13 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.919 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 64.87 33.61 9.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.7 m120 62.29 128.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.8 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -53.23 -27.29 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.369 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 36.6 ptt85 -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.2 m -80.9 -39.82 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 110.96 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.657 ' HA ' HE21 ' A' ' 16' ' ' GLN . 1.4 tm? -61.91 -50.24 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.635 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.887 ' HG3' HD21 ' B' ' 22' ' ' LEU . 45.7 ttt-85 -49.01 -37.6 20.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . . . -79.16 -49.61 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.657 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -62.88 -25.04 68.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 0.0 109.884 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 13' ' ' LEU . . . -85.29 -25.2 27.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.441 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 22.8 mmm180 -42.54 -32.96 0.61 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.547 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -80.11 24.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.607 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ALA . 49.2 m -164.82 -155.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.006 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -102.72 -172.61 2.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.012 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.831 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -72.79 -14.88 61.62 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.7 tt0 -40.25 -27.97 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.622 ' OG1' HD21 ' A' ' 13' ' ' LEU . 5.0 t -53.02 -40.4 63.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.494 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -66.17 -43.77 85.96 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.786 ' HG3' HG13 ' B' ' 10' ' ' ILE . 36.2 tt0 -56.12 -24.03 38.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 44.0 mm-40 -83.1 -54.58 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.914 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.1 mmt -89.6 -45.31 9.46 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.443 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' B' ' 7' ' ' LEU . 36.9 tp -58.02 -44.24 87.21 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.62 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 37.1 tt0 -59.2 -34.6 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.324 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.835 ' HA ' HG22 ' A' ' 34' ' ' VAL . 56.3 mmtt -86.22 -27.87 24.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.7 . . . . 0.0 109.728 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.931 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.9 tp -67.09 -25.81 66.4 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.685 ' HB3' HD23 ' B' ' 32' ' ' LEU . 1.7 pp20? -86.15 -39.0 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.874 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.835 HG22 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -67.3 -35.24 73.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.686 HG22 HG21 ' B' ' 36' ' ' VAL . 10.4 p -56.27 -38.04 53.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.724 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -86.06 -32.39 6.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.594 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 50.1 t30 -43.27 -40.8 3.64 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.19 -45.02 12.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.114 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.018 ' HD3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.15 -58.7 3.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.446 0.641 . . . . 0.0 111.451 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -42.27 -39.21 2.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.865 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -83.93 -46.47 12.06 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 tp10 -78.5 -40.58 34.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.169 0.509 . . . . 0.0 111.818 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.018 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 10.9 tp10 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.57 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -57.88 -37.38 73.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.61 -39.9 95.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.976 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.609 179.355 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.549 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 6' ' ' ILE . . . -76.55 -27.43 55.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.234 1.016 . . . . 0.0 110.375 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -77.31 -45.16 27.11 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.261 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.653 ' HD2' ' C ' ' B' ' 5' ' ' LYS . 0.7 OUTLIER -78.86 -34.69 44.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.648 HG23 ' O ' ' B' ' 3' ' ' ALA . 3.6 tt -53.65 -41.13 45.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-O 122.293 1.044 . . . . 0.0 108.824 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.732 HD21 HG23 ' B' ' 10' ' ' ILE . 3.0 tt -87.94 -28.22 21.63 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.641 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 61.64 16.46 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.534 ' CA ' HD23 ' B' ' 7' ' ' LEU . 3.0 m120 64.02 130.41 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 113.618 -1.628 . . . . 0.0 112.08 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.786 HG13 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.01 -29.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.63 -179.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.465 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.2 ptm85 -55.52 -46.31 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -85.44 -37.67 19.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.295 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.673 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.0 tt -62.68 -55.45 26.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.462 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.816 ' HA ' HD12 ' A' ' 22' ' ' LEU . 38.1 ttt85 -47.16 -30.27 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.403 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.86 -50.5 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.19 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.673 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.4 pt20 -63.08 -33.74 76.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.47 0.652 . . . . 0.0 109.924 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' B' ' 13' ' ' LEU . . . -85.93 -23.6 26.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.358 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -44.21 -31.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.015 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -84.62 29.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.384 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.412 ' N ' ' O ' ' B' ' 17' ' ' ALA . 19.3 t -164.8 -156.2 0.3 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.777 0.322 . . . . 0.0 111.26 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.721 HG23 ' H ' ' B' ' 22' ' ' LEU . 27.9 m -101.31 166.07 10.94 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.887 HD21 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.24 -14.39 7.08 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.14 -26.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.491 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.659 HG22 HD23 ' B' ' 13' ' ' LEU . 4.7 t -52.57 -42.8 64.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.81 HD21 HD13 ' B' ' 22' ' ' LEU . 1.2 pp -68.66 -42.98 77.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.723 ' N ' HD12 ' B' ' 25' ' ' LEU . 65.6 tt0 -53.97 -26.36 25.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.5 tp10 -83.21 -52.28 6.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.081 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.3 -46.32 8.84 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.73 HD13 HD22 ' A' ' 32' ' ' LEU . 21.6 tp -56.63 -37.42 70.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.8 ' HB2' HG22 ' A' ' 10' ' ' ILE . 84.3 tt0 -68.86 -32.05 71.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 68.0 mmtt -87.55 -32.0 19.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.406 0.622 . . . . 0.0 110.537 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.931 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 23.5 tp -68.71 -24.43 64.48 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.674 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.43 -38.55 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.01 178.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.2 m -71.95 -38.24 63.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.67 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 7.3 p -56.21 -49.52 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.686 HG21 HG22 ' A' ' 35' ' ' VAL . 12.4 p -79.13 -19.85 12.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.133 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 25.8 t30 -56.24 -42.23 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -74.93 -44.12 50.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.793 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.749 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.79 -27.59 66.02 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.567 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.644 ' N ' ' O ' ' B' ' 36' ' ' VAL . 1.2 mmm180 -67.8 -52.94 31.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.247 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.07 -39.97 94.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.086 0.469 . . . . 0.0 110.102 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' B' ' 45' ' ' ALA . 57.3 mm-40 -78.56 -20.76 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.498 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.749 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 5.1 tm-20 -63.83 -49.46 72.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.93 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -69.05 -34.14 74.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.491 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' B' ' 42' ' ' GLU . . . -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.202 -179.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.509 ' HG2' ' NE ' ' B' ' 40' ' ' ARG . 12.2 pt-20 . . . . . 0 C--O 1.224 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 6' ' ' ILE . . . -72.93 -24.35 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.905 0.859 . . . . 0.0 110.138 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -83.2 -43.11 16.5 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.25 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.641 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -84.07 -24.09 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.42 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG21 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.4 -53.0 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.685 HD11 HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -91.53 -11.51 37.17 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.631 178.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.32 35.77 17.92 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.612 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.524 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.9 m120 59.89 127.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.644 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.782 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.21 -29.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.417 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.7 ptm180 -60.56 -49.41 77.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -75.35 -38.71 59.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.669 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -62.73 -53.75 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.784 ' HA ' HD11 ' B' ' 22' ' ' LEU . 38.4 ttt85 -46.49 -32.06 3.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.34 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.54 -49.94 8.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.322 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.669 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.3 pt20 -64.57 -32.15 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 110.019 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB3' HD22 ' A' ' 13' ' ' LEU . . . -85.89 -24.25 26.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.233 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -42.66 -31.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -82.9 28.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.423 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' ALA . 22.4 t -167.55 -157.53 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.531 0.205 . . . . 0.0 110.959 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 p -98.38 -177.7 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.361 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.919 HD11 ' HA ' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -69.0 -14.56 63.11 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.019 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -40.32 -26.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.512 HG22 HD21 ' A' ' 13' ' ' LEU . 4.4 t -52.27 -43.28 64.31 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.846 HD23 HD13 ' A' ' 22' ' ' LEU . 1.1 pp -66.8 -45.62 77.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.797 ' HG3' HD12 ' B' ' 10' ' ' ILE . 17.9 tt0 -52.0 -26.94 11.83 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 83.6 tt0 -83.31 -53.87 5.42 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.4 mtt -88.57 -44.33 10.73 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.5 tp -54.26 -36.32 63.46 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.732 ' HB2' HD11 ' B' ' 10' ' ' ILE . 85.7 tt0 -68.5 -31.57 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.594 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.678 ' HA ' HG22 ' A' ' 34' ' ' VAL . 24.1 mmtp -86.2 -36.67 19.33 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.667 0.746 . . . . 0.0 109.965 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.997 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 26.0 tp -67.91 -22.07 65.1 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.821 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.724 ' HA ' HD13 ' B' ' 32' ' ' LEU . 12.0 pt-20 -86.18 -47.04 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.834 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 31' ' ' LYS . 34.9 m -61.31 -34.81 62.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.159 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG13 ' N ' ' A' ' 36' ' ' VAL . 13.4 p -56.52 -42.71 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.757 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.3 -36.97 30.85 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.469 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 35.1 t30 -42.68 -38.48 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -74.98 -41.66 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.985 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.924 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.28 -51.97 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.248 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.668 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 3.5 mmp_? -47.44 -37.54 11.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -86.72 -45.87 10.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 56.2 mt-10 -87.51 -44.63 11.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.691 ' HG3' ' NH1' ' B' ' 39' ' ' ARG . 5.0 tp10 -61.34 -46.64 89.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.807 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -56.96 -34.58 68.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -64.4 -44.0 92.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.072 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.365 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 39.3 tt0 . . . . . 0 C--O 1.225 -0.212 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.757 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -75.95 -23.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.777 0.799 . . . . 0.0 110.869 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.3 mp -85.73 -44.55 12.44 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.014 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.652 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.1 tmtt? -80.38 -24.46 39.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.451 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.545 ' CG2' ' H ' ' B' ' 7' ' ' LEU . 4.2 tt -53.2 -56.44 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-O 121.744 0.783 . . . . 0.0 109.397 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.662 HD12 HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -92.55 -6.02 50.48 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.52 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 59.11 35.96 23.95 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.499 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.7 m120 61.85 130.34 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.5 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.797 HD12 ' HG3' ' A' ' 26' ' ' GLU . 18.5 pt -55.9 -30.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.697 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.499 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -56.8 -51.04 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.94 0.4 . . . . 0.0 111.34 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.6 m -78.52 -37.97 41.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.272 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.679 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -62.97 -54.96 30.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.713 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.919 ' HA ' HD11 ' A' ' 22' ' ' LEU . 6.9 ptm180 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.07 -51.78 7.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.229 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.3 pt20 -63.16 -31.86 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 109.928 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' B' ' 13' ' ' LEU . . . -85.77 -24.43 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.218 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.6 tpm_? -48.47 -34.13 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.234 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -61.43 -36.38 80.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -104.74 -143.64 0.37 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.469 ' CG2' ' H ' ' B' ' 22' ' ' LEU . 7.4 m -109.84 178.26 4.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.805 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.48 -14.89 32.65 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.745 0.307 . . . . 0.0 110.219 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 17.5 tp10 -39.76 -28.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.53 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.505 ' OG1' ' HB1' ' B' ' 17' ' ' ALA . 75.1 m -51.45 -43.18 62.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.616 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.805 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 0.9 OUTLIER -65.06 -43.71 91.37 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.078 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.782 ' HG3' HG13 ' A' ' 10' ' ' ILE . 78.3 tt0 -56.76 -24.12 47.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' B' ' 23' ' ' GLU . 25.7 mt-10 -83.38 -53.96 5.33 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' B' ' 28' ' ' MET . 13.0 mmt -89.38 -45.19 9.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.858 HD12 HD23 ' A' ' 32' ' ' LEU . 27.9 tp -58.74 -42.03 87.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.029 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.627 ' HB2' HG21 ' A' ' 10' ' ' ILE . 84.8 tt0 -61.82 -31.57 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.07 0.462 . . . . 0.0 111.017 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.844 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.5 mmtp -87.49 -28.79 21.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.51 0.672 . . . . 0.0 109.628 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.997 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 39.5 tp -67.07 -24.53 65.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.922 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.905 ' HB3' HD21 ' A' ' 32' ' ' LEU . 4.3 pt-20 -85.12 -40.99 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.792 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.844 HG22 ' HA ' ' B' ' 31' ' ' LYS . 21.6 m -68.83 -35.25 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.327 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.667 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.5 p -59.7 -50.44 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.657 ' O ' ' N ' ' B' ' 40' ' ' ARG . 14.8 p -78.72 -19.61 13.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.957 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 41.8 t30 -58.38 -51.81 68.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 109.697 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.12 -42.39 94.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.147 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.725 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.83 -29.22 63.06 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.579 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' B' ' 36' ' ' VAL . 2.2 mmm180 -67.04 -41.01 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.188 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -79.36 -30.69 42.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.814 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 51.3 mt-10 -87.21 -39.43 15.47 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.924 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 23.8 mm-40 -66.29 -47.76 72.57 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.003 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.4 m -53.95 -30.46 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -74.59 -45.39 45.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.456 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.091 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.746 179.772 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.635 ' HA ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 111.425 0.157 . . . . 0.0 111.425 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.527 ' O ' HG21 ' A' ' 6' ' ' ILE . . . -76.27 -21.02 56.81 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.822 0.82 . . . . 0.0 109.783 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' HB3' HD22 ' A' ' 9' ' ' ASN . 2.4 mm? -85.56 -44.16 12.9 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.458 -1.247 . . . . 0.0 110.09 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.635 ' HG3' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -83.33 -20.0 35.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.578 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.611 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.96 -59.61 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -85.24 -10.16 56.89 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.179 -1.373 . . . . 0.0 107.3 177.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' LYS . 15.4 t-20 62.89 37.44 12.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.505 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.646 HD22 ' HB3' ' A' ' 4' ' ' LEU . 3.2 m120 60.29 125.47 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.382 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.686 HG21 HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.88 -34.42 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.09 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.2 ptm180 -57.06 -52.89 63.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.646 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 90.8 m -73.66 -38.4 64.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.4 tt -58.26 -56.45 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.271 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.731 ' HG2' HD22 ' B' ' 22' ' ' LEU . 78.5 mtp180 -44.24 -32.4 1.26 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.865 0.365 . . . . 0.0 110.624 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 -46.55 22.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 13' ' ' LEU . 33.0 mt-30 -63.46 -37.46 87.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.826 0.822 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -86.53 -18.84 30.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.682 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 79.9 ttt180 -42.2 -31.41 0.38 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.14 0.495 . . . . 0.0 110.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.77 42.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.443 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ALA . 44.0 t -172.84 172.7 4.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.424 HG21 ' H ' ' A' ' 22' ' ' LEU . 57.7 m -75.43 161.83 28.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.787 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.07 -13.69 5.26 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.397 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -39.82 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.577 HG23 HD11 ' A' ' 13' ' ' LEU . 98.1 m -51.37 -44.12 62.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' B' ' 25' ' ' LEU . 1.1 pp -66.15 -43.27 87.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.689 178.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.768 ' HG2' HD12 ' B' ' 10' ' ' ILE . 3.4 tm-20 -54.12 -27.56 34.0 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 tp10 -83.65 -53.61 5.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.429 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.615 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 23.9 mmt -88.43 -45.94 9.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 29' ' ' LEU . 61.2 tp -59.32 -25.96 64.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.873 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.731 ' HB2' HD11 ' B' ' 10' ' ' ILE . 39.4 tp10 -76.66 -31.06 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.031 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.743 ' HA ' HG21 ' A' ' 34' ' ' VAL . 49.6 mmtt -86.2 -31.75 21.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.686 0.755 . . . . 0.0 109.525 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.949 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 33.3 tp -69.41 -24.17 63.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.735 ' N ' HD23 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -85.4 -38.2 18.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG21 ' HA ' ' A' ' 31' ' ' LYS . 23.0 m -71.35 -36.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.147 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 36' ' ' VAL . 7.4 p -56.21 -48.84 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.6 ' N ' HG13 ' A' ' 35' ' ' VAL . 7.6 p -79.28 -27.92 13.25 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.683 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.603 ' ND2' HD13 ' B' ' 4' ' ' LEU . 33.1 t-20 -43.96 -43.79 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.47 -40.73 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.255 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.767 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -70.03 -56.87 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.19 178.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.72 HH21 HG12 ' B' ' 35' ' ' VAL . 19.6 mmt180 -44.9 -35.89 3.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.38 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -86.57 -53.51 4.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 34.0 mp0 -86.32 -40.79 15.11 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.121 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 4.4 tp10 -59.74 -47.55 85.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -54.79 -34.29 62.49 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.95 -41.52 82.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.111 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.458 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.638 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 40' ' ' ARG . 42.8 tp10 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.713 0.292 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.512 ' O ' HG23 ' B' ' 6' ' ' ILE . . . -79.98 -21.71 43.36 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.83 0.824 . . . . 0.0 110.338 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.603 HD13 ' ND2' ' A' ' 37' ' ' ASN . 1.7 mm? -85.4 -39.92 17.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.749 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.595 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.2 tmtp? -82.58 -28.56 30.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.288 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.42 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.549 0.69 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.742 HD13 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -88.29 -13.09 41.71 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.992 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 61.04 34.36 19.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.507 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 61.15 126.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.774 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.768 HD12 ' HG2' ' A' ' 26' ' ' GLU . 8.0 pt -59.76 -32.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.201 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.507 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.7 ptp85 -57.06 -50.91 71.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.7 m -72.9 -32.64 65.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 110.556 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.826 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.7 tp -63.13 -59.54 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.293 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 13.2 mtp-105 -46.51 -25.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.703 0.287 . . . . 0.0 111.011 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.26 -51.57 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.041 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.826 HE21 ' HA ' ' B' ' 13' ' ' LEU . 27.3 pt20 -64.12 -35.3 80.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 0.0 109.726 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.719 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -85.82 -19.57 30.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 80.0 ttt180 -44.38 -29.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -101.85 36.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.458 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.415 ' N ' ' O ' ' B' ' 17' ' ' ALA . 68.8 m -165.58 -166.3 0.95 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.958 0.408 . . . . 0.0 111.464 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.464 HG22 ' H ' ' B' ' 23' ' ' GLU . 57.6 m -92.6 159.56 15.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.778 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.97 -13.04 21.65 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.283 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.464 ' H ' HG22 ' B' ' 21' ' ' THR . 42.9 tt0 -39.77 -24.69 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.807 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 22' ' ' LEU . 99.2 m -51.6 -40.33 59.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.822 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -67.33 -42.96 82.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.985 0.422 . . . . 0.0 109.88 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.723 ' N ' HD11 ' B' ' 25' ' ' LEU . 5.7 tm-20 -57.49 -24.17 54.33 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 19.6 tt0 -83.48 -57.73 3.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.159 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.7 mtt -89.75 -44.27 10.11 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 29' ' ' LEU . 55.7 tp -61.84 -28.4 69.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.644 ' HB2' HG23 ' A' ' 10' ' ' ILE . 83.9 tt0 -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.906 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.824 ' HA ' HG21 ' B' ' 34' ' ' VAL . 26.5 mmtp -86.59 -32.37 20.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.929 0.871 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.949 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 46.6 tp -63.7 -25.21 68.1 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.629 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 32' ' ' LEU . 14.0 pt-20 -85.33 -38.53 18.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.577 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.824 HG21 ' HA ' ' B' ' 31' ' ' LYS . 15.3 m -65.69 -33.78 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.798 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 35.5 m -56.59 -45.57 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.688 ' N ' HG22 ' B' ' 35' ' ' VAL . 0.1 OUTLIER -83.51 -20.33 9.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.836 178.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.48 HD21 HD11 ' A' ' 4' ' ' LEU . 30.9 t-20 -57.5 -35.86 70.78 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -81.43 -40.17 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.716 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.121 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -77.4 -49.75 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.693 -179.573 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.664 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 21.7 mmm180 -44.7 -39.09 4.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 16.1 pt-20 -86.07 -45.28 11.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.32 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.7 tt0 -88.04 -46.81 9.02 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.767 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 7.6 tp10 -60.95 -45.93 92.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.099 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -55.32 -35.54 65.25 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.53 -41.8 92.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.725 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.132 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.265 179.213 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 65.7 mm-40 . . . . . 0 C--O 1.217 -0.61 0 CA-C-O 120.429 0.157 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.587 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -68.14 -26.2 65.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.907 0.86 . . . . 0.0 110.38 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -85.13 -46.87 10.7 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.742 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 49.7 tptt -80.32 -23.37 40.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.89 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.511 HD13 ' CA ' ' A' ' 32' ' ' LEU . 7.3 tt -54.88 -52.03 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-O 121.994 0.902 . . . . 0.0 110.148 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.723 HD12 HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.84 -10.37 21.85 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.052 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.401 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 4.5 m120 64.87 31.07 11.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.378 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.463 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 61.76 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.504 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.701 ' CG2' ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.12 -30.5 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.699 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -53.45 -44.83 69.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.416 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -88.09 -38.75 15.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.508 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.815 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.4 tt -66.19 -56.67 10.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.943 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.92 ' HG3' HD22 ' B' ' 22' ' ' LEU . 52.0 ttt-85 -45.47 -31.01 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.829 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.38 -52.88 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.815 HE21 ' HA ' ' A' ' 13' ' ' LEU . 27.9 pt20 -61.35 -34.87 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.378 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -86.6 -20.91 27.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.931 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 52.4 ttt-85 -51.0 -33.4 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.673 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.5 pt-20 -65.16 -33.69 76.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -98.03 -146.28 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.49 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.684 HG22 ' H ' ' A' ' 22' ' ' LEU . 29.9 m -109.25 165.58 11.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.797 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.91 -15.77 14.41 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.528 0.204 . . . . 0.0 110.478 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -41.06 -27.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 HG22 HD22 ' A' ' 13' ' ' LEU . 5.1 t -53.11 -43.1 66.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.17 178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.797 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.1 pp -66.45 -45.82 78.5 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.718 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.0 tm-20 -54.81 -26.79 37.26 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.0 tt0 -81.21 -53.61 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.935 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 13' ' ' LEU . 64.7 mtt -89.44 -47.08 8.24 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' A' ' 25' ' ' LEU . 19.2 tp -54.46 -41.35 69.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.844 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HB2' HG23 ' B' ' 10' ' ' ILE . 33.8 tt0 -61.49 -30.46 70.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.845 ' HA ' HG23 ' A' ' 34' ' ' VAL . 25.7 mmtp -86.52 -30.78 21.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.871 0.843 . . . . 0.0 109.465 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.972 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 26.3 tp -68.28 -24.81 64.91 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.308 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.852 ' HB3' HD22 ' B' ' 32' ' ' LEU . 19.5 pt-20 -86.3 -43.47 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.845 HG23 ' HA ' ' A' ' 31' ' ' LYS . 30.5 m -63.98 -34.03 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.487 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.826 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 6.7 m -55.94 -51.79 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -74.98 -20.52 16.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.469 178.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.669 ' ND2' HD23 ' B' ' 4' ' ' LEU . 29.2 t-20 -54.26 -38.45 65.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 57.1 mm-40 -82.71 -42.81 17.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.329 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.016 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.65 -54.23 14.89 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.712 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 2.9 mmp_? -46.15 -41.27 12.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -83.84 -36.46 23.44 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 38.3 tt0 -80.64 -43.7 20.04 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 111.626 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.087 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.1 mm-40 -57.39 -47.5 81.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -56.17 -34.45 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -69.02 -41.47 77.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.4 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.125 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.898 179.628 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.609 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.6 tt0 . . . . . 0 C--O 1.227 -0.111 0 CA-C-O 120.669 0.271 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.643 ' HB1' ' HG3' ' A' ' 40' ' ' ARG . . . -86.56 -21.98 26.57 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.984 0.897 . . . . 0.0 109.939 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.669 HD23 ' ND2' ' A' ' 37' ' ' ASN . 1.1 mt -84.37 -42.42 15.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.079 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.678 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.0 tmtt? -84.75 -23.88 29.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.248 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.609 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -53.15 -53.3 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.618 HD13 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -93.59 -8.92 39.81 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.772 178.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 64.17 25.16 13.6 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.622 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.561 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 71.3 m-80 61.39 125.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.646 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.714 ' CG2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -46.67 -31.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.156 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.457 ' NH1' ' HB2' ' B' ' 11' ' ' ARG . 2.5 ptm85 -56.75 -50.18 73.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.948 0.404 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 92.6 m -79.67 -37.04 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.409 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' B' ' 17' ' ' ALA . 6.4 tt -61.45 -55.31 32.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.576 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.654 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 78.0 mtp180 -45.46 -34.09 3.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.69 -50.65 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.951 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.551 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 0.1 OUTLIER -66.35 -29.89 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.418 0.627 . . . . 0.0 110.309 -179.588 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.666 ' HB2' HD23 ' B' ' 13' ' ' LEU . . . -87.09 -24.08 24.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.281 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' B' ' 18' ' ' ARG . 1.8 tpm_? -42.19 -32.66 0.51 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.408 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.78 33.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.608 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 17' ' ' ALA . 50.2 m -163.37 -160.78 0.62 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.891 0.377 . . . . 0.0 111.578 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.545 HG22 ' N ' ' B' ' 22' ' ' LEU . 28.5 m -100.57 167.83 10.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.92 HD22 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.67 -15.15 10.51 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.623 0.249 . . . . 0.0 110.397 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' B' ' 27' ' ' GLU . 24.6 pt-20 -40.58 -27.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.346 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.596 HG21 HD22 ' B' ' 13' ' ' LEU . 4.7 t -51.64 -42.6 62.18 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.929 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.811 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -67.22 -45.96 75.24 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.724 ' N ' HD13 ' B' ' 25' ' ' LEU . 3.9 tm-20 -53.35 -25.49 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 4.9 mm-40 -81.87 -55.16 4.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.908 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.511 ' SD ' HD11 ' B' ' 13' ' ' LEU . 59.7 mtt -88.97 -46.16 9.1 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.089 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.763 HD12 HD21 ' A' ' 32' ' ' LEU . 53.8 tp -54.74 -32.98 60.55 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.54 ' HB2' HG23 ' A' ' 10' ' ' ILE . 85.5 tt0 -71.46 -32.5 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 111.213 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.713 ' HA ' HG21 ' B' ' 34' ' ' VAL . 25.4 mmtp -87.13 -33.67 19.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.901 0.858 . . . . 0.0 110.006 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.972 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 16.2 tp -67.17 -23.38 65.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.85 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.585 ' HA ' HD13 ' A' ' 32' ' ' LEU . 14.4 pt-20 -86.03 -44.43 12.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.576 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.713 HG21 ' HA ' ' B' ' 31' ' ' LYS . 29.4 m -60.41 -35.93 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.812 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 15.2 m -55.29 -51.05 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.587 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -76.07 -20.61 15.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.579 178.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.547 ' OD1' HD13 ' A' ' 4' ' ' LEU . 29.9 t30 -56.39 -36.96 69.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.572 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 55.9 mt-10 -83.55 -44.21 14.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.087 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.48 -50.96 40.41 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.722 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 2.9 mmp_? -47.08 -42.23 18.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.608 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 12.5 pt-20 -82.9 -37.36 24.35 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.1 mm-40 -77.27 -38.79 50.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.966 0.413 . . . . 0.0 111.53 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 1.016 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 12.6 mm-40 -59.11 -47.39 85.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -56.39 -33.93 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.95 -41.62 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.492 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.834 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.9 tp10 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.728 0.299 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -77.87 -20.83 52.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.879 0.847 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -84.0 -43.37 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.779 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -84.79 -22.54 29.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.5 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 4.3 tt -54.43 -46.26 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.36 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.804 HD13 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.15 -10.77 16.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.3 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.05 33.46 14.66 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.2 m120 60.43 127.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.41 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.804 HG21 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.89 -30.24 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.115 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 14.5 ptp180 -53.06 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -84.55 -36.0 22.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.528 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.819 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -64.81 -55.93 16.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.859 ' HA ' HD13 ' B' ' 22' ' ' LEU . 11.7 ptm180 -44.41 -34.43 2.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.528 0.204 . . . . 0.0 111.345 -178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.73 9.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.236 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.819 HE21 ' HA ' ' A' ' 13' ' ' LEU . 21.9 pt20 -60.72 -35.42 76.29 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.697 0.76 . . . . 0.0 109.505 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.604 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -86.43 -21.64 26.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.729 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 3.5 tmt_? -51.22 -32.02 22.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -62.6 -36.08 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.7 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -104.12 -144.54 0.37 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.506 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.716 HG23 ' H ' ' A' ' 22' ' ' LEU . 27.6 m -105.77 166.96 10.1 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.885 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -59.2 -14.6 11.24 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 89.1 tt0 -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.769 0.319 . . . . 0.0 110.461 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 25' ' ' LEU . 5.4 t -51.81 -42.78 62.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.059 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.34 -43.06 82.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.716 ' N ' HD11 ' A' ' 25' ' ' LEU . 36.0 tt0 -54.38 -25.31 23.69 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 4.5 mm-40 -83.29 -52.87 6.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.808 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.42 -46.65 8.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.217 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 25' ' ' LEU . 31.5 tp -56.67 -34.54 67.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.784 ' HB2' HG22 ' B' ' 10' ' ' ILE . 40.0 tt0 -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.0 111.566 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' A' ' 34' ' ' VAL . 28.7 mmtp -87.08 -28.63 22.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.641 0.734 . . . . 0.0 110.046 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.904 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 35.4 tp -69.85 -25.55 63.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.691 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.804 ' HA ' HD12 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.76 -32.44 23.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.515 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 31' ' ' LYS . 18.2 m -74.51 -38.43 46.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.678 HG21 HG12 ' B' ' 36' ' ' VAL . 22.4 m -54.38 -47.09 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.577 ' N ' HG21 ' A' ' 35' ' ' VAL . 11.8 p -85.4 -19.35 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.729 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 22.8 t30 -55.33 -38.6 68.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.15 -40.65 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.709 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.939 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.2 -53.18 18.18 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.753 179.525 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.584 HH21 HG12 ' B' ' 35' ' ' VAL . 9.0 mmt180 -45.04 -41.61 7.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.704 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -87.1 -44.56 11.44 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.571 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 43.4 tt0 -82.06 -40.86 21.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.956 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 10.2 tm-20 -56.89 -47.69 79.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -35.68 61.92 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -66.44 -41.73 88.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.025 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.621 179.275 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 39.0 tt0 . . . . . 0 C--O 1.226 -0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.521 ' HA ' HG21 ' B' ' 6' ' ' ILE . . . -73.89 -24.21 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.219 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -83.44 -44.15 15.07 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.955 -179.317 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -82.24 -24.31 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.521 HG21 ' HA ' ' B' ' 3' ' ' ALA . 3.9 tt -54.36 -45.58 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-O 121.679 0.752 . . . . 0.0 109.407 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.581 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 0.2 OUTLIER -105.1 -13.75 15.63 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.228 179.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.93 32.58 8.44 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.836 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.465 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.4 m120 60.02 128.45 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.196 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.784 HG22 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -52.63 -29.12 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.757 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.45 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.0 ptp180 -55.58 -49.48 72.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 89.9 m -86.47 -38.22 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.704 HD12 HD21 ' A' ' 25' ' ' LEU . 1.5 tm? -61.24 -52.05 66.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.967 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.885 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.0 ttt-85 -48.63 -36.4 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.517 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' B' ' 18' ' ' ARG . . . -83.37 -48.64 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.66 HE21 HD23 ' B' ' 13' ' ' LEU . 14.6 pt20 -60.21 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.426 0.632 . . . . 0.0 109.924 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -85.24 -24.35 27.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.524 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.75 ' HG2' ' O ' ' B' ' 14' ' ' ARG . 2.4 mmm180 -42.91 -32.29 0.61 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.15 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -81.41 28.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.0 p -167.29 -156.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.484 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.597 HG23 ' N ' ' B' ' 22' ' ' LEU . 35.1 m -102.65 165.39 11.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.509 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.859 HD13 ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.66 -14.75 9.18 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.69 -26.29 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 110.494 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.563 ' OG1' HD22 ' B' ' 13' ' ' LEU . 5.7 t -52.75 -40.62 63.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.827 HD22 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -67.95 -42.3 81.14 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.727 ' N ' HD12 ' B' ' 25' ' ' LEU . 71.0 tt0 -57.42 -23.97 52.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 80.4 tt0 -84.23 -55.83 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.911 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.581 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 60.9 mtt -90.03 -45.34 9.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 7' ' ' LEU . 50.8 tp -63.35 -23.28 67.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.692 ' HB2' HG23 ' A' ' 10' ' ' ILE . 30.6 tt0 -77.93 -33.91 51.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.036 0.446 . . . . 0.0 111.18 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.875 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.4 mmtp -86.37 -30.13 22.4 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.936 0.874 . . . . 0.0 109.237 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.904 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 37.2 tp -66.17 -24.95 66.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.76 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.745 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.6 pt-20 -85.58 -38.14 18.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.555 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.875 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.9 m -67.77 -34.89 70.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.155 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.614 HG21 ' N ' ' B' ' 36' ' ' VAL . 31.2 m -55.63 -42.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.678 HG12 HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -85.16 -26.57 6.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.229 178.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.469 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 38.3 t30 -47.81 -39.09 17.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.901 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 20.2 pt-20 -87.99 -45.14 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.474 177.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.956 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.32 -57.25 4.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 111.261 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.668 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.5 tpp180 -48.29 -32.77 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -85.78 -45.36 11.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.558 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 96.1 mt-10 -80.22 -38.84 30.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.096 0.474 . . . . 0.0 112.022 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.939 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 24.5 mm-40 -59.74 -46.3 89.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -54.66 -33.31 60.55 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -70.98 -44.41 66.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.514 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.076 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.669 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.585 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.8 tt0 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -81.03 -27.8 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.567 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.634 ' HB3' HD22 ' A' ' 9' ' ' ASN . 2.2 mm? -82.73 -34.28 27.26 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.702 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.6 tmtt? -85.91 -27.68 24.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.972 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.628 HG23 ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -52.97 -46.34 53.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.462 0.648 . . . . 0.0 109.504 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.674 HD12 HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.26 -6.92 19.29 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.241 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.473 ' OD1' HG23 ' A' ' 12' ' ' THR . 11.7 t-20 60.57 31.48 20.24 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.466 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.634 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.6 m120 63.52 130.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.57 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.687 ' CG2' ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -23.36 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.206 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.606 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.4 ptp85 -56.82 -53.68 55.03 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 13.1 t -74.41 -30.25 61.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.462 . . . . 0.0 110.451 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.761 HD12 HG22 ' A' ' 24' ' ' THR . 6.7 tp -61.87 -53.66 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.89 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.536 HH12 ' HD3' ' A' ' 18' ' ' ARG . 29.6 tpt85 -47.79 -28.48 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.69 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.22 -51.4 5.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.536 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.613 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.7 pt20 -63.46 -33.75 76.24 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.438 0.637 . . . . 0.0 110.219 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' B' ' 22' ' ' LEU . . . -86.2 -20.48 28.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.412 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.536 ' HD3' HH12 ' A' ' 14' ' ' ARG . 11.7 tpt180 -44.26 -29.31 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.06 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -105.18 40.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.321 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -160.95 -146.23 0.13 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.666 0.27 . . . . 0.0 111.358 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 HD22 ' A' ' 22' ' ' LEU . 39.5 m -126.41 162.66 25.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.857 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -56.2 -15.01 3.18 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 120.624 0.249 . . . . 0.0 110.888 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -40.22 -27.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.761 HG22 HD12 ' A' ' 13' ' ' LEU . 5.5 t -56.55 -42.46 78.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.522 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.857 HD23 HD13 ' A' ' 22' ' ' LEU . 1.1 pp -67.04 -42.36 84.97 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 120.929 0.395 . . . . 0.0 110.045 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.697 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.31 -26.35 51.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.5 tt0 -83.95 -51.84 6.82 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.996 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.5 mmt -89.52 -48.55 7.24 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 62.0 tp -60.72 -25.68 66.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.444 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.671 ' HB2' HG21 ' B' ' 10' ' ' ILE . 3.3 tp10 -77.29 -32.76 55.67 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.974 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 27.2 mmtp -87.02 -31.45 20.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.703 0.763 . . . . 0.0 109.752 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.005 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 42.8 tp -67.07 -24.57 65.98 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.551 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -86.88 -42.25 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.953 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.0 m -65.27 -34.38 70.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.688 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 8.1 p -56.56 -50.41 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.671 ' N ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.67 -30.36 28.99 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.331 177.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 29.5 t30 -48.12 -41.19 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.62 -34.94 77.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.133 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.074 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -76.11 -46.72 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.492 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HD3' ' HB3' ' B' ' 2' ' ' GLU . 8.5 mmp_? -51.2 -37.1 44.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.58 -46.17 9.79 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.297 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -88.18 -45.13 10.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.937 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.1 tm-20 -53.81 -48.16 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -59.74 -36.74 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -61.01 -42.09 97.8 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.175 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' B' ' 46' ' ' ALA . . . . . . . . 0 CA--C 1.521 -0.15 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.246 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.687 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 89.1 tt0 . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.555 0.217 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 33' ' ' GLU . . . -80.02 -28.27 39.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.743 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' B' ' 9' ' ' ASN . 2.2 mm? -84.14 -35.77 23.38 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.9 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -81.02 -30.75 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.413 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.566 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 3.1 tt -54.65 -41.29 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 121.8 0.81 . . . . 0.0 109.646 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.633 HD11 HG22 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -104.21 -19.27 14.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.092 -1.413 . . . . 0.0 110.061 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 64.92 30.09 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.606 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.3 m120 62.44 127.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.511 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.696 HG13 ' HG2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -56.8 -27.79 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.453 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.4 ptm180 -55.48 -52.1 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 97.3 m -73.57 -33.63 64.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' B' ' 17' ' ' ALA . 5.4 tp -62.15 -59.23 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.386 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.855 ' HG3' HD21 ' A' ' 22' ' ' LEU . 35.0 ttt-85 -46.02 -25.73 0.61 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.29 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.05 -50.48 6.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.944 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.565 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.8 pt20 -64.34 -34.93 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.063 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.657 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -86.44 -19.84 29.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.378 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -42.49 -30.15 0.33 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -105.6 42.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.307 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' ' 17' ' ' ALA . 79.8 p -169.27 -171.17 1.22 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 111.525 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.574 HG21 ' H ' ' B' ' 23' ' ' GLU . 55.9 m -86.77 155.89 20.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.802 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -63.16 -13.24 34.71 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.539 179.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.574 ' H ' HG21 ' B' ' 21' ' ' THR . 12.5 pt-20 -39.26 -24.89 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.938 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.496 ' N ' ' O ' ' B' ' 22' ' ' LEU . 93.8 m -50.55 -41.24 53.83 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 25' ' ' LEU . 1.1 pp -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.046 0.451 . . . . 0.0 109.946 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.739 ' N ' HD13 ' B' ' 25' ' ' LEU . 28.3 tt0 -55.61 -24.9 35.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 34.6 tt0 -83.71 -53.78 5.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.931 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.8 mtt -89.75 -46.03 8.88 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' B' ' 25' ' ' LEU . 59.9 tp -58.21 -36.77 73.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.683 ' HB2' HG22 ' A' ' 10' ' ' ILE . 83.0 tt0 -67.55 -34.56 77.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.562 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 59.0 mmtt -86.82 -29.5 22.21 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 121.811 0.815 . . . . 0.0 109.628 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 1.005 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 46.5 tp -68.64 -24.35 64.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.505 -1.225 . . . . 0.0 109.894 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.66 ' N ' HD22 ' A' ' 32' ' ' LEU . 12.9 pt-20 -85.93 -43.71 12.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.0 m -64.69 -34.27 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.84 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.667 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 14.9 p -56.46 -49.84 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.656 ' H ' HG11 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -74.29 -35.56 40.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.054 177.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 28.0 t30 -42.88 -41.07 3.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -69.22 -40.18 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.937 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -74.53 -47.7 31.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.598 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -47.68 -39.52 17.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -87.46 -44.33 11.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.618 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 66.9 mm-40 -87.14 -45.19 10.91 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 1.074 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -53.21 -50.14 65.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -58.54 -37.27 75.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -61.31 -41.37 96.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.379 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.172 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.617 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 37.8 tt0 . . . . . 0 C--O 1.226 -0.164 0 CA-C-O 120.618 0.247 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.541 ' HB1' ' HB ' ' B' ' 36' ' ' VAL . . . -75.48 -20.92 58.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.991 0.901 . . . . 0.0 110.068 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -84.64 -46.2 11.74 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.794 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.3 -24.14 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.794 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 3.6 tt -54.3 -45.94 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 121.628 0.727 . . . . 0.0 109.275 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.863 HD12 HG23 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -105.11 -9.76 17.58 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.471 -1.24 . . . . 0.0 108.988 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.9 35.4 16.38 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.529 ' C ' HD11 ' A' ' 7' ' ' LEU . 2.3 m120 59.46 127.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.863 HG23 HD12 ' A' ' 7' ' ' LEU . 24.5 pt -53.14 -23.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.884 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -63.8 -51.32 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 95.8 m -73.84 -38.52 64.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.757 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -63.37 -50.27 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.6 tpt180 -44.27 -35.06 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 -47.61 10.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.352 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.757 HE21 ' HA ' ' A' ' 13' ' ' LEU . 19.5 pt20 -63.85 -34.72 78.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 109.801 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.669 ' HB2' HD22 ' A' ' 13' ' ' LEU . . . -86.38 -21.35 27.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -45.33 -30.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.962 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -90.3 32.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.478 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ALA . 83.8 p -165.59 -159.56 0.42 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 111.306 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -101.39 -174.25 2.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.585 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -70.76 -14.57 62.48 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.912 179.575 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB3' HH12 ' B' ' 14' ' ' ARG . 2.1 pp20? -40.43 -27.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.557 HG21 HD21 ' A' ' 13' ' ' LEU . 4.9 t -55.59 -42.07 74.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.848 HD22 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.27 -42.28 84.12 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.713 ' N ' HD12 ' A' ' 25' ' ' LEU . 27.3 tt0 -54.55 -26.62 33.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.2 tt0 -83.54 -49.99 8.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.047 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.26 -47.85 7.77 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 HD21 ' B' ' 32' ' ' LEU . 34.5 tp -56.42 -38.95 72.25 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.78 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.805 ' HB2' HG21 ' B' ' 10' ' ' ILE . 33.9 tt0 -65.6 -34.97 79.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.647 ' HA ' HG22 ' A' ' 34' ' ' VAL . 29.4 mmtp -86.64 -26.81 24.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.594 0.711 . . . . 0.0 110.26 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.872 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 14.3 tp -70.43 -26.22 63.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.483 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.603 ' HB3' HD23 ' B' ' 32' ' ' LEU . 13.5 pt-20 -84.58 -34.39 23.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.62 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.5 m -72.99 -38.95 57.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.293 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.726 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 16.4 m -54.15 -46.36 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.696 HG22 HG22 ' B' ' 35' ' ' VAL . 5.6 p -86.45 -18.77 8.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.767 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.706 ' ND2' HD12 ' B' ' 4' ' ' LEU . 29.5 t-20 -55.54 -42.88 75.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.631 ' HG3' ' HE ' ' A' ' 39' ' ' ARG . 10.3 pt-20 -73.91 -39.15 64.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.168 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.83 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.66 -54.76 12.36 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 121.704 0.764 . . . . 0.0 109.776 178.406 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' VAL . 7.2 mmm180 -43.49 -40.47 3.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.801 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -83.98 -47.22 11.22 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 50.5 mt-10 -82.82 -42.02 18.37 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 112.092 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.896 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 23.7 tp10 -56.04 -48.47 75.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.0 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -55.5 -35.49 65.64 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.86 -40.99 83.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.85 179.647 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.611 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 . . . . . 0 C--O 1.226 -0.183 0 CA-C-O 120.557 0.217 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.496 ' HA ' HG21 ' B' ' 6' ' ' ILE . . . -78.08 -26.88 48.36 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.749 0.785 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.706 HD12 ' ND2' ' A' ' 37' ' ' ASN . 1.8 mm? -84.2 -38.13 20.98 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.661 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.531 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.3 tptp -83.77 -28.22 28.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.517 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.611 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 5.4 tt -55.56 -46.31 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.602 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.524 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.85 -13.18 15.6 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.202 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.531 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 73.1 m-80 66.73 32.5 6.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.06 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.507 ' C ' HD13 ' B' ' 7' ' ' LEU . 2.8 m120 59.61 126.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.452 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.805 HG21 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -51.68 -26.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.888 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.4 ptm85 -58.65 -52.68 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 99.3 m -86.32 -33.91 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.214 0.53 . . . . 0.0 110.73 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.62 ' HA ' HE21 ' B' ' 16' ' ' GLN . 2.1 tm? -61.07 -51.53 68.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.646 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.847 ' HA ' HD13 ' A' ' 22' ' ' LEU . 33.8 ttt85 -52.12 -34.46 44.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.22 -49.59 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.405 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.62 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -62.93 -32.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 109.792 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' B' ' 13' ' ' LEU . . . -86.22 -24.1 26.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.044 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 12.1 tpt180 -49.48 -34.36 16.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.722 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 16' ' ' GLN . 12.5 pt-20 -61.4 -34.87 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.2 m -103.76 -142.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.422 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.429 HG22 ' H ' ' B' ' 22' ' ' LEU . 16.2 m -113.91 174.23 6.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.142 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.791 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.68 -15.05 10.08 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 24.5 pt-20 -41.44 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 110.182 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.493 ' CG2' HD21 ' B' ' 13' ' ' LEU . 99.8 m -55.32 -41.28 72.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.074 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.06 -47.18 69.04 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.378 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.721 ' N ' HD12 ' B' ' 25' ' ' LEU . 24.0 pt-20 -56.05 -23.53 33.97 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.342 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 44.6 tt0 -83.42 -51.67 7.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.755 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.6 mmt -89.21 -49.02 6.99 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.018 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.664 HD12 HD22 ' A' ' 32' ' ' LEU . 19.4 tp -51.95 -41.54 62.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.388 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.649 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 42.9 tt0 -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.771 ' HA ' HG23 ' B' ' 34' ' ' VAL . 8.5 mmpt? -83.69 -31.64 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.894 0.854 . . . . 0.0 109.481 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.872 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 24.9 tp -71.17 -24.89 62.33 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.103 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.639 ' N ' HD21 ' A' ' 32' ' ' LEU . 15.1 pt-20 -85.83 -43.35 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.771 HG23 ' HA ' ' B' ' 31' ' ' LYS . 35.1 m -63.13 -35.82 73.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.074 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.696 HG22 HG22 ' A' ' 36' ' ' VAL . 12.5 p -55.54 -42.72 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -86.36 -20.15 7.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 177.513 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.555 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 29.8 t-20 -53.47 -38.66 63.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.874 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -84.44 -39.92 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.8 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.896 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.65 -53.64 11.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.758 179.158 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.8 mmm180 -46.37 -39.1 9.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.756 0.312 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -83.97 -46.21 12.31 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.6 mp0 -85.88 -42.95 13.66 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.83 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.21 -48.32 79.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.056 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.95 -34.67 68.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.94 -41.66 97.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.046 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.319 179.24 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.529 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.6 tp10 . . . . . 0 C--O 1.227 -0.125 0 CA-C-O 120.654 0.264 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.496 ' C ' HG21 ' A' ' 6' ' ' ILE . . . -79.87 -23.91 41.6 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.897 0.856 . . . . 0.0 110.449 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 9' ' ' ASN . 1.3 mm? -85.1 -39.11 18.31 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.657 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.646 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -85.15 -27.5 26.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -53.72 -52.58 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.434 0.635 . . . . 0.0 109.41 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -95.19 -8.28 36.69 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.944 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.497 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.12 34.19 16.49 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.776 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.6 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.9 m120 60.64 126.52 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.822 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.84 -32.38 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.615 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -59.58 -50.54 73.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.195 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 91.6 m -74.27 -37.37 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.392 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -60.64 -57.44 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.786 ' HA ' HD12 ' B' ' 22' ' ' LEU . 79.7 mtp180 -47.04 -31.62 3.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -76.32 -47.65 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.823 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.718 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.0 pt20 -70.97 -31.78 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.487 0.661 . . . . 0.0 110.178 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.541 ' HB3' HD21 ' A' ' 13' ' ' LEU . . . -86.98 -20.8 26.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.194 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.1 ptt85 -43.52 -34.34 1.34 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 87.5 tt0 -88.45 36.34 0.79 Allowed 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.763 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ALA . 35.5 t -170.15 -177.47 2.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 22' ' ' LEU . 24.2 m -86.6 169.69 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.731 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.784 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.98 -14.6 9.77 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 120.691 0.281 . . . . 0.0 110.27 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' OE1' ' HB3' ' A' ' 26' ' ' GLU . 5.1 tp10 -40.08 -27.14 0.04 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.612 HG21 HD23 ' A' ' 13' ' ' LEU . 5.2 t -52.8 -42.81 65.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.281 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -65.66 -47.5 75.3 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.416 178.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.808 ' HG3' HG13 ' B' ' 10' ' ' ILE . 23.3 tt0 -54.25 -25.66 24.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.985 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.594 ' HG2' ' HE3' ' A' ' 28' ' ' MET . 39.4 tt0 -80.3 -53.53 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.791 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.594 ' HE3' ' HG2' ' A' ' 27' ' ' GLU . 11.2 mmt -89.77 -46.94 8.24 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.022 0.439 . . . . 0.0 112.087 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.687 HD13 HD23 ' B' ' 32' ' ' LEU . 56.5 tp -54.24 -43.48 70.92 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.961 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.59 ' HB2' HG22 ' B' ' 10' ' ' ILE . 38.5 tt0 -60.87 -30.22 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.041 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.828 ' HA ' HG21 ' A' ' 34' ' ' VAL . 25.0 mmtp -86.64 -29.02 22.85 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.779 0.8 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.759 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.2 tp -68.88 -26.14 64.97 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.785 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.673 ' HB3' HD22 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.74 -36.73 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.633 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.828 HG21 ' HA ' ' A' ' 31' ' ' LYS . 19.9 m -68.45 -37.74 78.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.209 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.585 ' N ' HG23 ' A' ' 34' ' ' VAL . 15.0 m -55.24 -52.96 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.916 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 7.4 p -77.7 -18.83 13.98 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.638 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 42.6 t30 -58.17 -43.65 87.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.384 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.797 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -74.73 -47.3 32.09 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 121.33 0.586 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 2.5 mmm180 -45.05 -41.29 7.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.885 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -86.63 -44.04 12.18 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 56.3 mt-10 -86.11 -44.14 12.49 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.84 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 11.1 tm-20 -57.84 -48.37 79.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.162 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.29 -33.0 65.11 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -66.98 -43.97 81.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.398 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.97 179.566 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 . . . . . 0 C--O 1.226 -0.178 0 CA-C-O 120.562 0.22 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.497 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -79.71 -24.05 41.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.837 0.827 . . . . 0.0 110.46 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' B' ' 9' ' ' ASN . 1.3 mm? -85.17 -39.09 18.25 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.63 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.66 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.8 tmtt? -85.13 -27.62 26.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.084 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -53.62 -52.56 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 CA-C-O 121.465 0.65 . . . . 0.0 109.487 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.619 HD11 HG23 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -95.36 -8.02 36.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.885 178.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HB ' ' B' ' 12' ' ' THR . 5.6 m120 62.01 34.23 16.76 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.802 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.578 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.9 m120 60.45 126.62 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.808 HG13 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -51.86 -32.37 14.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.56 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -59.57 -50.61 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' B' ' 8' ' ' ASN . 91.0 m -74.18 -37.45 63.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.722 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.61 -57.4 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.295 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.783 ' HA ' HD12 ' A' ' 22' ' ' LEU . 79.5 mtp180 -47.05 -31.65 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -76.36 -47.47 23.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.907 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.722 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -71.17 -31.62 67.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.421 0.629 . . . . 0.0 110.104 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.525 ' HB3' HD21 ' B' ' 13' ' ' LEU . . . -87.02 -20.94 26.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.163 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' B' ' 15' ' ' ALA . 30.0 ptt85 -43.32 -34.49 1.24 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.262 0.553 . . . . 0.0 109.536 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 19' ' ' GLU . 87.4 tt0 -88.37 36.32 0.78 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.693 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 17' ' ' ALA . 35.4 t -170.14 -177.44 2.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.957 0.408 . . . . 0.0 111.393 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.488 HG23 ' H ' ' B' ' 22' ' ' LEU . 23.9 m -86.54 169.72 12.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.789 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.04 -14.5 9.84 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.711 0.291 . . . . 0.0 110.352 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.502 ' OE1' ' HB3' ' B' ' 26' ' ' GLU . 5.1 tp10 -40.08 -27.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.613 HG21 HD23 ' B' ' 13' ' ' LEU . 5.2 t -52.74 -42.81 65.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.244 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -65.71 -47.5 75.15 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.343 178.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.822 ' HG3' HG13 ' A' ' 10' ' ' ILE . 23.3 tt0 -54.23 -25.65 24.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.572 -0.851 . . . . 0.0 108.881 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 tt0 -80.26 -53.69 6.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.757 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.568 ' HE3' ' HG2' ' B' ' 27' ' ' GLU . 11.4 mmt -89.64 -47.06 8.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.975 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.696 HD13 HD23 ' A' ' 32' ' ' LEU . 56.2 tp -54.14 -43.44 70.53 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.595 ' HB2' HG22 ' A' ' 10' ' ' ILE . 38.4 tt0 -61.03 -30.12 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.843 ' HA ' HG21 ' B' ' 34' ' ' VAL . 24.9 mmtp -86.58 -29.03 22.92 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.787 0.803 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.759 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 16.2 tp -68.93 -26.18 64.94 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.701 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.672 ' HB3' HD22 ' A' ' 32' ' ' LEU . 1.7 pp20? -84.7 -36.71 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.656 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.843 HG21 ' HA ' ' B' ' 31' ' ' LYS . 20.1 m -68.52 -37.72 78.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.59 ' N ' HG23 ' B' ' 34' ' ' VAL . 15.1 m -55.32 -52.78 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.916 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.4 p -77.8 -18.93 13.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.082 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.534 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 42.8 t30 -58.03 -43.69 86.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.594 0.711 . . . . 0.0 109.263 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -69.68 -41.62 75.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.483 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.84 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.7 -47.42 31.6 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.967 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' B' ' 36' ' ' VAL . 2.6 mmm180 -44.94 -41.44 7.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -86.6 -44.01 12.22 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 56.3 mt-10 -86.06 -44.14 12.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.797 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 11.1 tm-20 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.118 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.2 -33.12 65.01 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -66.84 -44.09 81.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.432 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 179.574 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.9 tt0 . . . . . 0 C--O 1.226 -0.15 0 CA-C-O 120.744 0.307 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.747 ' HB1' ' HB ' ' B' ' 36' ' ' VAL . . . -74.18 -21.68 59.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.837 0.827 . . . . 0.0 110.136 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 4' ' ' LEU . 1.5 mp -84.35 -45.65 12.56 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.524 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 26.1 tptp -80.71 -23.16 39.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.748 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.604 HD13 ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.0 -48.59 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.663 0.744 . . . . 0.0 109.9 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.548 ' HG ' ' H ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -103.37 -10.98 18.19 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.392 -1.277 . . . . 0.0 109.361 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.524 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 63.4 m-80 67.18 25.35 9.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.55 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.548 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 3.2 m120 64.91 132.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.206 0.527 . . . . 0.0 111.834 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.735 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -57.32 -19.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.838 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 12' ' ' THR . 16.2 ptp180 -59.2 -56.84 16.96 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.633 0.254 . . . . 0.0 111.583 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 8.8 t -85.36 -29.8 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.233 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD22 ' HG1' ' A' ' 24' ' ' THR . 1.7 tm? -60.7 -46.91 88.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.0 tpt180 -51.45 -35.99 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.442 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.44 -47.04 9.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.618 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 15.6 pt20 -62.67 -34.24 76.7 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.45 0.643 . . . . 0.0 109.961 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 13' ' ' LEU . . . -86.05 -23.41 26.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.167 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.9 tpt180 -47.99 -32.2 6.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.915 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -83.51 26.63 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.383 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -162.43 -154.17 0.3 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.778 0.323 . . . . 0.0 111.264 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.2 p -102.09 174.38 5.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.792 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -68.61 -15.47 63.54 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.114 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.2 tt0 -41.12 -26.74 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.404 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.663 ' HG1' HD22 ' A' ' 13' ' ' LEU . 4.9 t -53.26 -42.22 66.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.085 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.45 -44.68 82.15 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.363 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.716 ' N ' HD13 ' A' ' 25' ' ' LEU . 36.3 tt0 -53.82 -26.31 23.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 65.8 mm-40 -82.71 -54.19 5.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' THR . 19.8 ptp -89.64 -45.87 9.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 40.4 tp -53.3 -41.87 66.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.883 0.373 . . . . 0.0 110.161 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' O ' HG11 ' A' ' 34' ' ' VAL . 85.8 tt0 -62.91 -33.66 75.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.639 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.844 ' HA ' HG21 ' A' ' 34' ' ' VAL . 24.8 mmtp -86.46 -28.97 23.16 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.804 0.811 . . . . 0.0 109.542 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.992 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 26.9 tp -68.37 -24.12 64.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.346 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.855 ' HB3' HD22 ' B' ' 32' ' ' LEU . 13.0 pt-20 -86.13 -42.5 13.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.844 HG21 ' HA ' ' A' ' 31' ' ' LYS . 20.5 m -60.18 -36.37 67.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 32' ' ' LEU . 14.0 m -56.42 -48.87 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.758 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.6 -19.66 14.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.375 177.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' OD1' HD12 ' B' ' 4' ' ' LEU . 34.6 t30 -58.18 -37.49 74.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.62 -43.66 15.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.129 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.049 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.86 -48.52 65.91 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.744 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.568 HH11 ' HE ' ' B' ' 39' ' ' ARG . 22.4 mmm180 -53.52 -44.0 68.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.86 -35.14 51.35 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 41.1 tp10 -80.19 -36.29 35.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.353 . . . . 0.0 111.394 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.995 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 16.2 mm-40 -59.56 -49.44 77.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -58.15 -32.73 68.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -70.13 -39.74 75.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.537 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.673 179.66 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.8 tt0 . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.758 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . . . -73.87 -28.28 61.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.155 0.978 . . . . 0.0 110.211 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.581 ' H ' HD13 ' B' ' 4' ' ' LEU . 1.5 mp -76.76 -45.82 27.54 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.271 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.664 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.1 tmtp? -77.6 -36.64 51.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.944 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.619 HG22 ' O ' ' B' ' 3' ' ' ALA . 2.0 tt -53.71 -41.75 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-O 122.307 1.051 . . . . 0.0 108.956 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.787 HD21 HG22 ' B' ' 10' ' ' ILE . 3.1 tt -88.47 -28.11 21.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.635 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.518 HD21 HE22 ' B' ' 16' ' ' GLN . 52.2 t30 62.31 12.73 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.57 ' CA ' HD23 ' B' ' 7' ' ' LEU . 2.7 m120 70.27 127.67 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.038 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.047 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.787 HG22 HD21 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -53.07 -35.37 22.65 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.704 -179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.625 ' HG3' HG23 ' B' ' 12' ' ' THR . 36.6 ptt180 -49.25 -43.8 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.07 0.462 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.625 HG23 ' HG3' ' B' ' 11' ' ' ARG . 25.9 p -88.14 -38.32 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.071 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.704 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -63.72 -58.69 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.405 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.651 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -46.32 -28.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 111.152 -178.517 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.55 ' N ' ' HD3' ' B' ' 14' ' ' ARG . . . -85.51 -52.26 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.704 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.9 pt20 -61.98 -33.51 74.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.624 ' HB1' HD21 ' B' ' 13' ' ' LEU . . . -85.7 -22.95 27.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.158 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.629 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -48.48 -33.36 9.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.4 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -61.51 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.1 p -103.14 -144.28 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.319 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.514 HG23 ' H ' ' B' ' 22' ' ' LEU . 15.8 m -110.52 173.69 6.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.379 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.781 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.71 -14.3 8.18 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.552 0.215 . . . . 0.0 110.502 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -39.83 -27.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.372 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' B' ' 22' ' ' LEU . 64.1 m -53.57 -43.67 68.68 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.235 178.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -66.98 -45.09 78.72 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.693 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.723 ' N ' HD11 ' B' ' 25' ' ' LEU . 81.6 tt0 -56.26 -24.86 45.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.5 tp10 -84.03 -53.54 5.48 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.3 mmt -88.88 -48.64 7.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.176 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.666 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 45.8 tp -59.06 -28.51 66.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.05 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.735 ' HB2' HG22 ' A' ' 10' ' ' ILE . 78.1 tt0 -72.61 -31.6 65.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.68 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.819 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -87.07 -32.24 20.07 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.76 0.791 . . . . 0.0 109.587 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.992 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 15.5 tp -66.61 -24.21 66.28 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.989 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 32' ' ' LEU . 11.2 pt-20 -86.73 -45.48 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.169 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.819 HG22 ' HA ' ' B' ' 31' ' ' LYS . 34.7 m -63.7 -33.18 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.331 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.61 HG22 HG13 ' A' ' 36' ' ' VAL . 8.0 p -58.47 -46.19 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.747 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -79.4 -20.66 12.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.66 177.444 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.493 ' OD1' HD12 ' A' ' 4' ' ' LEU . 29.6 t30 -55.88 -37.76 69.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.98 -43.07 20.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.892 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.995 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.53 -54.57 15.92 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.697 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' B' ' 36' ' ' VAL . 22.5 mmm180 -47.62 -39.83 17.93 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.706 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.5 -38.96 23.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.502 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 43.6 tt0 -78.01 -40.41 39.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 111.451 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 1.049 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 22.1 mm-40 -57.76 -47.56 82.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.78 -34.31 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -67.64 -44.73 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.702 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.758 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.615 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 36.9 tt0 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.693 0.282 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -82.8 -21.25 34.58 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.916 0.865 . . . . 0.0 109.491 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.596 ' HB3' HD22 ' A' ' 9' ' ' ASN . 10.1 mt -82.23 -46.57 13.54 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.501 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.659 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.2 tmtp? -79.59 -24.05 42.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.276 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 3.3 tt -53.03 -45.6 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.607 0.718 . . . . 0.0 109.169 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.636 HD12 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -104.85 -7.19 19.57 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.474 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.57 30.46 17.06 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.944 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.596 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.8 m120 61.71 129.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.865 HG23 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -53.35 -23.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.624 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 13.9 ptp180 -65.5 -51.66 58.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 94.8 m -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.206 0.526 . . . . 0.0 110.501 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.747 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.1 tt -63.89 -51.34 65.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 32.8 tpt85 -46.29 -32.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.27 -49.69 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.274 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.747 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.29 -33.72 76.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.532 0.682 . . . . 0.0 109.735 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.657 ' HB3' HD23 ' A' ' 13' ' ' LEU . . . -86.3 -19.54 29.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.523 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -44.73 -30.06 0.88 Allowed 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.325 0.583 . . . . 0.0 109.748 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -115.32 45.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.1 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' ALA . 47.4 t -168.44 163.81 12.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.505 HG21 ' H ' ' A' ' 23' ' ' GLU . 57.1 m -68.39 155.62 39.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.183 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.785 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.22 -12.92 9.99 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.607 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' H ' HG21 ' A' ' 21' ' ' THR . 1.0 OUTLIER -39.71 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.758 -179.376 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.76 -40.75 63.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.777 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.83 -43.12 76.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.09 0.472 . . . . 0.0 109.902 178.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.733 ' N ' HD11 ' A' ' 25' ' ' LEU . 29.0 tt0 -57.51 -23.69 51.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 81.4 tt0 -84.2 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.918 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.3 mmt -89.71 -46.27 8.73 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.759 HD23 ' HB2' ' A' ' 25' ' ' LEU . 34.5 tp -61.45 -26.6 67.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HB2' HG21 ' B' ' 10' ' ' ILE . 38.6 tt0 -74.25 -35.1 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 111.268 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.839 ' HA ' HG22 ' A' ' 34' ' ' VAL . 53.9 mmtt -86.08 -28.46 24.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 109.592 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.897 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.3 tp -66.4 -26.13 67.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.021 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.712 ' N ' HD22 ' B' ' 32' ' ' LEU . 12.3 pt-20 -85.13 -40.79 16.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.006 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' HA ' ' A' ' 31' ' ' LYS . 22.9 m -68.01 -33.53 61.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.959 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG13 ' H ' ' A' ' 36' ' ' VAL . 14.9 p -57.74 -48.15 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.663 ' H ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -78.04 -32.34 17.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.958 177.389 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -42.27 -42.83 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.583 0.706 . . . . 0.0 109.39 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.67 -40.25 73.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.929 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.877 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -75.39 -52.9 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.735 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.655 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 23.1 mmm180 -44.65 -37.65 3.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.88 -48.32 8.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 57.5 mm-40 -87.45 -44.8 11.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.954 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -57.13 -48.41 78.74 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -55.94 -35.73 66.98 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -62.48 -41.43 98.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.787 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.493 179.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 111.351 0.13 . . . . 0.0 111.351 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.621 ' O ' ' HB2' ' A' ' 33' ' ' GLU . . . -80.55 -25.15 38.79 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.929 0.871 . . . . 0.0 109.538 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.559 ' HB3' HD22 ' B' ' 9' ' ' ASN . 1.7 mm? -86.1 -37.3 18.96 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.16 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -85.37 -22.43 28.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.707 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.536 HG22 ' O ' ' B' ' 3' ' ' ALA . 8.1 tt -54.38 -51.22 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-O 122.215 1.007 . . . . 0.0 109.499 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.798 HD13 HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -100.02 -8.72 23.51 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.523 -1.672 . . . . 0.0 108.912 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.457 ' O ' HG22 ' B' ' 12' ' ' THR . 5.2 m120 63.19 27.63 15.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.559 HD22 ' HB3' ' B' ' 4' ' ' LEU . 3.0 m120 62.43 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.221 0.534 . . . . 0.0 111.345 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.798 HG22 HD13 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -57.29 -19.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.844 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.513 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.3 ptm180 -62.21 -58.1 9.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.457 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -77.6 -30.19 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.325 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.765 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.8 tt -62.09 -52.25 64.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.198 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 11.9 tpt180 -45.54 -32.51 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.96 -47.02 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 112.14 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.765 HE21 ' HA ' ' B' ' 13' ' ' LEU . 22.3 pt20 -64.73 -35.51 81.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.711 0.767 . . . . 0.0 109.475 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.557 ' HB2' HD23 ' B' ' 13' ' ' LEU . . . -86.52 -19.2 29.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.598 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.0 ttt180 -44.03 -30.95 0.8 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.237 0.542 . . . . 0.0 109.688 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -112.63 45.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.068 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 17' ' ' ALA . 47.4 t -168.53 162.68 12.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.064 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.55 HG21 ' H ' ' B' ' 23' ' ' GLU . 58.0 m -67.41 155.44 38.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.764 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -60.77 -12.15 9.78 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 44.0 tt0 -39.27 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.475 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.7 t -53.71 -36.59 62.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.942 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -72.88 -45.09 60.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.241 178.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.732 ' N ' HD12 ' B' ' 25' ' ' LEU . 12.2 pt-20 -60.4 -19.68 56.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.3 tp10 -83.79 -58.21 2.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.611 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 58.5 mtt -90.13 -45.62 9.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.641 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.665 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 31.8 tp -61.44 -27.03 68.27 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.147 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.865 ' HB2' HG23 ' A' ' 10' ' ' ILE . 38.9 tt0 -75.26 -32.68 61.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.757 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.7 mmtp -87.37 -27.94 22.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.96 0.886 . . . . 0.0 109.576 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.897 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 25.5 tp -67.87 -24.76 65.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.698 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -86.11 -36.52 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 178.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.757 HG22 ' HA ' ' B' ' 31' ' ' LYS . 12.8 m -68.89 -35.48 69.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.91 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.702 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 4.7 m -54.93 -53.33 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -74.38 -27.22 21.16 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 120.344 -0.543 . . . . 0.0 111.015 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 33.9 t30 -49.19 -41.38 36.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.167 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.954 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -77.98 -41.93 34.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.842 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.525 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 22.6 mmm180 -54.23 -38.1 65.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -87.53 -47.05 9.04 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.543 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -88.25 -44.85 10.54 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.877 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.6 tm-20 -59.48 -47.7 84.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.074 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -54.76 -34.19 62.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.05 -42.16 89.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.889 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.744 179.392 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.2 tt0 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 120.797 0.332 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -75.21 -23.07 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.027 0.918 . . . . 0.0 110.23 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -81.94 -44.44 16.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.916 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.66 -23.38 34.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.83 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.68 HG21 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.89 -49.42 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD12 HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -100.34 -11.16 20.52 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.22 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 65.67 28.86 11.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.514 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.6 m120 61.81 129.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.694 HG23 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -61.5 -27.58 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.87 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.3 ptp180 -49.67 -50.75 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.281 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 99.1 m -83.43 -33.78 25.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.842 ' HA ' HE21 ' A' ' 16' ' ' GLN . 2.2 tp -63.06 -61.56 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.628 ' HA ' HD12 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -46.19 -25.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 -177.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.5 7.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.01 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.842 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.6 pt20 -63.0 -36.55 83.92 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 109.768 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.729 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -86.26 -19.56 29.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.549 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.6 tpt180 -43.5 -30.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.2 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.83 36.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.508 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' ALA . 68.7 m -164.35 -165.41 0.96 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.981 0.42 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 23' ' ' GLU . 64.1 m -87.67 155.29 20.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.222 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.808 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.9 -13.78 27.97 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.481 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.716 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 24.8 pt-20 -39.67 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 111.401 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 93.8 m -51.91 -36.94 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.1 pp -72.45 -44.03 62.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.716 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -59.42 -21.0 59.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 5.4 tp10 -84.05 -56.32 3.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.607 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -89.7 -47.79 7.7 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 25' ' ' LEU . 41.5 tp -59.57 -22.52 61.87 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.124 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB2' HG23 ' B' ' 10' ' ' ILE . 39.9 tt0 -79.36 -31.94 43.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.189 0.519 . . . . 0.0 110.5 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.822 ' HA ' HG23 ' A' ' 34' ' ' VAL . 54.2 mmtt -87.08 -28.86 22.29 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.733 0.777 . . . . 0.0 109.763 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.91 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 23.6 tp -68.93 -24.8 64.32 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.521 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.682 ' N ' HD21 ' B' ' 32' ' ' LEU . 14.7 pt-20 -84.48 -34.6 23.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.822 HG23 ' HA ' ' A' ' 31' ' ' LYS . 16.9 m -71.8 -36.98 60.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.174 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.668 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m -56.06 -49.38 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.689 HG21 HG22 ' B' ' 35' ' ' VAL . 7.6 p -81.72 -18.23 11.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.009 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 34.1 t30 -59.12 -41.77 88.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.71 -42.66 60.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.378 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 1.139 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.77 -32.26 71.88 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.572 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.611 ' N ' ' O ' ' A' ' 36' ' ' VAL . 4.2 mmm180 -64.51 -44.9 89.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -85.54 -27.68 25.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.051 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 17.6 tp10 -82.31 -39.65 22.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.603 0.24 . . . . 0.0 111.632 -178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.008 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.4 mm-40 -60.05 -48.59 81.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 93.1 p -56.33 -33.28 65.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -71.69 -39.93 69.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.441 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.553 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 C--O 1.225 -0.196 0 CA-C-O 120.79 0.329 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.476 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -74.81 -24.87 58.71 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.029 0.919 . . . . 0.0 110.431 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.4 OUTLIER -83.18 -43.95 15.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.438 -179.002 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.413 ' HZ3' HD22 ' B' ' 8' ' ' ASN . 26.1 tptp -83.29 -24.18 32.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 2.9 tt -54.72 -45.82 73.53 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.683 0.754 . . . . 0.0 109.81 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.704 HD11 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.28 -11.45 16.5 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.525 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.413 HD22 ' HZ3' ' B' ' 5' ' ' LYS . 5.2 m120 65.46 32.72 9.32 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.073 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.508 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 61.81 126.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.704 HG21 HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -55.03 -29.69 22.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.856 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.508 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 36.2 ptt180 -54.79 -51.07 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 98.2 m -75.38 -34.51 61.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.761 HD12 HG22 ' B' ' 24' ' ' THR . 6.9 tp -61.75 -59.74 4.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.471 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 37.3 ttt85 -45.42 -26.57 0.57 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.541 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.39 -51.29 6.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.048 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 13.3 pt20 -63.68 -35.45 80.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.622 0.725 . . . . 0.0 110.239 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.654 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -86.69 -19.8 28.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.635 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -42.84 -30.3 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.255 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -98.82 37.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.528 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 17' ' ' ALA . 62.0 m -163.41 -165.22 1.03 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.7 m -95.87 160.22 14.58 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.787 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -59.0 -13.92 7.93 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.692 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.595 ' HA ' ' HG2' ' B' ' 26' ' ' GLU . 88.2 tt0 -40.28 -26.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.761 HG22 HD12 ' B' ' 13' ' ' LEU . 5.1 t -54.29 -38.22 65.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.034 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.787 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -72.33 -45.07 61.56 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.726 ' N ' HD12 ' B' ' 25' ' ' LEU . 15.6 pt-20 -58.65 -20.8 51.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.1 tp10 -83.18 -58.82 2.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.666 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.9 mtt -89.92 -44.7 9.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.669 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 35.8 tp -59.3 -35.51 73.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.683 ' HB2' HG22 ' A' ' 10' ' ' ILE . 18.0 tp10 -66.97 -31.19 71.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.651 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -83.15 -28.06 29.66 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.803 0.811 . . . . 0.0 109.352 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.91 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.9 tp -68.25 -25.35 65.13 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.618 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.721 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.26 -37.18 18.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.728 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.4 m -68.01 -35.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.689 HG22 HG21 ' A' ' 36' ' ' VAL . 13.1 p -56.56 -42.57 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.666 ' N ' HG11 ' B' ' 35' ' ' VAL . 0.1 OUTLIER -85.19 -20.63 8.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.915 177.233 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.416 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 33.4 t30 -53.72 -36.1 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -84.27 -45.52 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.268 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.008 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.5 -53.49 22.92 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 36' ' ' VAL . 18.7 mmm180 -48.55 -40.38 26.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.664 0.269 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -84.27 -39.46 19.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -78.58 -38.62 39.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.753 -178.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 1.139 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.1 mm-40 -58.17 -46.96 84.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.55 -35.16 69.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -67.68 -40.55 84.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.272 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.403 179.472 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.517 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 43.5 tp10 . . . . . 0 C--O 1.227 -0.12 0 CA-C-O 120.803 0.335 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.56 -22.29 54.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.625 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -85.53 -45.39 11.83 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.317 -178.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 17.0 tppt? -82.31 -22.61 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.824 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' CA ' ' A' ' 32' ' ' LEU . 5.3 tt -54.09 -52.58 35.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-O 121.925 0.869 . . . . 0.0 109.737 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -99.59 -10.39 22.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.887 -1.506 . . . . 0.0 108.856 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.32 32.55 14.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.058 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 60.22 128.91 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.69 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.641 ' CG2' ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.5 -24.49 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 179.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.5 ptp180 -63.82 -53.07 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.406 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 93.7 m -74.28 -36.17 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.372 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' HB1' ' A' ' 17' ' ' ALA . 6.2 tt -63.62 -50.7 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 34.0 tpt85 -46.68 -33.36 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.34 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.96 -49.87 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.403 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.6 pt20 -63.78 -34.71 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.574 0.702 . . . . 0.0 110.055 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.677 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -86.52 -20.59 27.81 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.598 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 80.3 ttt180 -44.05 -29.46 0.6 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -103.27 41.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.209 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.3 m -156.96 -144.11 0.13 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.568 HG21 ' N ' ' A' ' 22' ' ' LEU . 32.6 m -126.13 164.28 21.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.668 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.774 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.32 -15.5 16.51 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.51 0.195 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -41.87 -24.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.261 0.553 . . . . 0.0 110.126 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.672 HG21 HD11 ' A' ' 13' ' ' LEU . 87.0 m -53.95 -39.02 65.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.958 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.774 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.11 -47.18 53.13 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.734 ' N ' HD11 ' A' ' 25' ' ' LEU . 11.6 pt-20 -56.22 -23.72 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.8 tt0 -83.65 -54.33 5.0 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.06 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -89.48 -46.96 8.31 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.71 HD12 HD22 ' B' ' 32' ' ' LEU . 30.1 tp -54.98 -41.88 71.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.654 ' HB2' HG23 ' B' ' 10' ' ' ILE . 34.8 tt0 -62.36 -31.66 72.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.639 ' HA ' HG23 ' A' ' 34' ' ' VAL . 27.1 mmtp -87.67 -31.96 19.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.652 0.739 . . . . 0.0 110.041 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.83 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 23.3 tp -69.11 -24.18 64.09 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.892 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.604 ' HB3' HD21 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.52 -38.87 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.351 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG23 ' HA ' ' A' ' 31' ' ' LYS . 29.1 m -69.21 -36.92 75.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.705 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.0 m -55.98 -50.8 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 1.056 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.8 p -79.29 -19.11 12.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.674 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.9 t30 -61.21 -47.38 86.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.6 -42.08 83.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.975 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -71.87 -26.87 62.52 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.258 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 36' ' ' VAL . 1.2 mmm180 -66.75 -43.55 83.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -84.94 -26.9 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.686 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 17.6 tp10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.008 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 12.6 mm-40 -62.53 -47.75 82.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -54.9 -33.33 61.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -68.55 -45.94 70.8 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.376 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.862 179.654 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.594 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 . . . . . 0 C--O 1.225 -0.236 0 CA-C-O 120.577 0.227 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.485 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -74.28 -27.09 60.57 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.56 13.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.407 -178.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.505 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 19.4 tptm -79.54 -26.04 41.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 2.6 tt -54.84 -46.12 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.529 0.68 . . . . 0.0 109.937 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.623 HD13 HG21 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -105.44 -11.55 16.38 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.628 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.505 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 66.0 m-80 67.48 30.51 6.76 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.52 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.6 m120 62.19 127.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.654 HG23 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -55.2 -22.59 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.54 ' HG3' HG23 ' B' ' 12' ' ' THR . 15.4 ptp180 -63.57 -54.27 38.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.54 HG23 ' HG3' ' B' ' 11' ' ' ARG . 16.1 p -74.59 -37.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.176 0.512 . . . . 0.0 110.275 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.679 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.16 -51.85 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 35.9 tpt85 -46.97 -33.18 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.85 -49.54 8.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.5 pt20 -64.85 -33.83 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.064 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.677 ' HB1' HD23 ' B' ' 13' ' ' LEU . . . -86.52 -20.97 27.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.525 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.559 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.7 ttt180 -43.1 -29.79 0.39 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -105.02 43.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.3 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.2 m -157.58 -145.54 0.15 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.656 HG21 ' H ' ' B' ' 22' ' ' LEU . 41.7 m -126.31 160.27 30.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.687 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.931 HD11 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -58.28 -16.09 12.77 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.604 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -41.41 -27.33 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.065 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.7 t -55.65 -42.83 75.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.338 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.931 HD21 HD11 ' B' ' 22' ' ' LEU . 1.2 pp -67.42 -44.1 79.62 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.196 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.732 ' N ' HD11 ' B' ' 25' ' ' LEU . 79.1 tt0 -54.27 -27.07 32.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.68 -50.74 7.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.06 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.5 mtt -88.8 -48.32 7.58 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.676 HD13 HD23 ' A' ' 32' ' ' LEU . 28.9 tp -53.75 -38.23 64.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.131 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.598 ' HB2' HG23 ' A' ' 10' ' ' ILE . 34.3 tt0 -64.18 -34.15 77.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.964 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 26.7 mmtp -86.32 -27.32 24.39 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.407 0.622 . . . . 0.0 110.15 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.83 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 tp -70.33 -26.1 63.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.762 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.648 ' N ' HD22 ' A' ' 32' ' ' LEU . 15.0 pt-20 -85.03 -39.06 18.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.991 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 31' ' ' LYS . 32.3 m -70.85 -38.44 72.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.052 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.643 HG11 ' HA ' ' B' ' 32' ' ' LEU . 8.7 p -55.78 -47.23 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 1.056 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.2 p -83.76 -19.31 9.61 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.137 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.612 ' ND2' HD11 ' A' ' 4' ' ' LEU . 32.0 t-20 -52.64 -43.17 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.67 -40.45 69.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.85 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.008 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.07 -51.96 33.41 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.142 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.517 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 6.5 mmm180 -48.19 -40.14 23.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.599 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.2 -39.61 16.45 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -80.94 -42.5 21.21 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.975 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 17.9 mm-40 -58.63 -47.79 83.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.667 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -56.06 -33.53 65.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -68.19 -43.87 77.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.299 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.615 179.485 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.9 tt0 -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.4 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -79.06 -22.9 44.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.793 0.806 . . . . 0.0 110.506 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.626 HD11 ' ND2' ' B' ' 37' ' ' ASN . 2.1 mm? -84.52 -46.19 11.85 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.384 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.23 -23.66 37.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.242 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 9.1 tt -53.85 -50.8 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 122.087 0.946 . . . . 0.0 109.876 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.651 HD11 HD23 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -102.73 -9.72 19.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.911 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.75 25.78 15.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.509 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.627 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.1 m120 67.5 128.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.865 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -52.16 -26.69 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.383 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.4 ptt180 -52.64 -50.1 63.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.634 0.254 . . . . 0.0 111.596 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 15.0 t -84.34 -33.96 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.719 0.295 . . . . 0.0 111.63 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.664 ' HA ' HE21 ' A' ' 16' ' ' GLN . 4.8 tt -61.68 -57.73 10.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.413 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.798 ' HG3' HD23 ' B' ' 22' ' ' LEU . 73.5 ttt180 -48.48 -27.72 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.462 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 -50.13 7.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.116 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.664 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.9 pt20 -64.48 -33.51 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.49 0.662 . . . . 0.0 109.865 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 24' ' ' THR . . . -85.98 -22.56 27.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.389 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.4 ttt-85 -43.98 -31.41 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.8 35.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.42 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' ALA . 81.2 p -168.49 -162.83 0.42 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.622 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.643 HG21 ' H ' ' A' ' 23' ' ' GLU . 86.0 m -89.04 155.43 19.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.317 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.795 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -60.86 -12.7 11.82 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.643 ' H ' HG21 ' A' ' 21' ' ' THR . 89.2 tt0 -39.17 -25.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.589 0.233 . . . . 0.0 110.797 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.533 HG21 ' HB3' ' A' ' 17' ' ' ALA . 70.1 p -50.8 -40.33 55.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.795 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.64 -43.78 75.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.872 178.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.8 ' HG3' HG13 ' B' ' 10' ' ' ILE . 27.8 tt0 -57.58 -23.62 51.7 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.7 tp10 -83.95 -54.17 5.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.748 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.503 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.4 mtt -90.24 -46.78 8.2 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.678 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 15.3 tp -61.26 -40.76 95.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.846 ' HB2' HG22 ' B' ' 10' ' ' ILE . 81.2 tt0 -62.76 -34.88 78.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.909 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.643 ' HA ' HG21 ' A' ' 34' ' ' VAL . 66.4 mmtt -86.5 -26.56 24.53 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.685 0.755 . . . . 0.0 109.727 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.967 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 53.4 tp -69.67 -24.86 63.67 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.065 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.796 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -86.21 -35.84 19.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.407 178.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.643 HG21 ' HA ' ' A' ' 31' ' ' LYS . 12.4 m -70.18 -36.5 68.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 32' ' ' LEU . 7.5 p -59.92 -50.8 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.921 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.2 p -75.72 -18.95 15.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.777 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.624 ' ND2' HD11 ' B' ' 4' ' ' LEU . 30.4 t-20 -57.36 -48.43 79.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.42 -42.95 82.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.315 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.076 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.01 -30.87 69.35 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.359 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.78 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -65.91 -43.84 86.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.94 -28.62 27.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.429 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 52.1 mt-10 -86.6 -39.74 15.85 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.079 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.7 mm-40 -62.3 -45.34 93.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.753 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -69.23 -44.19 72.53 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.47 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.55 93.2 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.786 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -63.51 -48.21 78.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.25 -38.38 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.338 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 52' ' ' GLU . 88.2 tt0 60.22 -112.4 0.55 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 51' ' ' GLU . 44.0 tp10 -167.86 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -65.24 -48.37 73.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -67.39 137.24 55.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -174.99 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 56.99 43.84 23.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.96 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.767 0.317 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 -76.6 -31.31 57.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.366 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' GLU . . . -79.02 -22.98 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.891 0.853 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.624 HD11 ' ND2' ' A' ' 37' ' ' ASN . 2.0 mm? -84.44 -46.2 11.91 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.403 -1.272 . . . . 0.0 110.429 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -81.32 -23.54 37.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.217 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 9.1 tt -53.88 -50.95 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 122.095 0.95 . . . . 0.0 109.75 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -102.69 -9.57 19.94 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 113.71 -1.587 . . . . 0.0 108.964 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.68 25.64 15.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.614 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.1 m120 67.69 128.82 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -52.15 -26.7 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.362 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' B' ' 12' ' ' THR . 38.3 ptt180 -52.74 -50.02 64.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.617 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 15.0 t -84.28 -34.1 23.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.612 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.673 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.8 tt -61.71 -57.6 11.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.435 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.784 ' HG3' HD23 ' A' ' 22' ' ' LEU . 73.5 ttt180 -48.54 -27.67 2.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.789 0.328 . . . . 0.0 111.415 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.44 -50.33 7.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.141 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.673 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -64.29 -33.61 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.541 0.686 . . . . 0.0 109.909 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' B' ' 24' ' ' THR . . . -85.91 -22.64 27.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.35 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.3 ttt-85 -43.96 -31.39 0.88 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.75 35.49 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.414 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.41 ' N ' ' O ' ' B' ' 17' ' ' ALA . 82.1 p -168.44 -162.8 0.42 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.889 0.376 . . . . 0.0 111.717 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.648 HG21 ' H ' ' B' ' 23' ' ' GLU . 86.2 m -89.07 155.46 19.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.803 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -60.94 -12.76 12.31 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.296 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.648 ' H ' HG21 ' B' ' 21' ' ' THR . 89.2 tt0 -39.01 -25.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 17' ' ' ALA . 69.7 p -50.85 -40.4 55.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.47 -43.93 75.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.91 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.819 ' HG3' HG13 ' A' ' 10' ' ' ILE . 27.8 tt0 -57.56 -23.57 51.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.7 tp10 -84.04 -54.08 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.739 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 64.5 mtt -90.34 -46.64 8.26 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.669 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 15.3 tp -61.26 -40.88 95.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.865 ' HB2' HG22 ' A' ' 10' ' ' ILE . 81.3 tt0 -62.7 -34.78 77.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.642 ' HA ' HG21 ' B' ' 34' ' ' VAL . 66.4 mmtt -86.64 -26.45 24.35 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.967 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 53.5 tp -69.75 -24.72 63.57 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.157 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.794 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.31 -35.85 19.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.336 178.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.642 HG21 ' HA ' ' B' ' 31' ' ' LYS . 12.6 m -70.25 -36.54 67.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.77 HG12 ' HA ' ' B' ' 32' ' ' LEU . 7.4 p -59.77 -50.89 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.921 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.2 p -75.66 -18.97 15.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.741 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.626 ' ND2' HD11 ' A' ' 4' ' ' LEU . 30.2 t-20 -57.42 -48.39 79.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.53 -42.8 82.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.366 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.079 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.1 -30.72 69.07 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.357 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.777 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 0.3 OUTLIER -66.16 -43.66 86.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.513 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.95 -28.71 27.62 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 52.1 mt-10 -86.53 -39.87 15.81 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 1.076 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.7 mm-40 -62.2 -45.36 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.758 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.39 -33.9 66.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -69.22 -44.31 72.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.463 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.65 93.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.2 94.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.4 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -63.55 -48.26 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.379 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.24 -38.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.393 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' B' ' 52' ' ' GLU . 88.3 tt0 60.21 -112.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.513 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' B' ' 51' ' ' GLU . 43.7 tp10 -167.89 -47.3 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.758 0.313 . . . . 0.0 110.826 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.28 -48.31 73.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.871 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -67.42 137.26 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -174.96 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 57.0 43.85 23.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.989 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.501 ' HB2' HD22 ' A' ' 4' ' ' LEU . 80.5 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 86.6 tt0 -79.06 -26.45 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -74.79 -22.02 58.98 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.925 0.869 . . . . 0.0 109.914 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.45 14.03 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.776 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 45.4 tptt -80.1 -25.02 40.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.554 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.49 -56.7 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-O 121.71 0.767 . . . . 0.0 109.058 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -91.18 -11.67 37.68 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.537 179.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.457 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 20.0 t-20 64.06 34.95 10.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.428 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 59.01 129.09 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.764 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.8 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -55.8 -28.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.929 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.0 ptp180 -58.48 -52.9 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 98.5 m -73.15 -34.11 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.291 0.567 . . . . 0.0 110.58 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 24' ' ' THR . 6.1 tp -62.01 -60.19 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.427 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' B' ' 22' ' ' LEU . 72.5 ttt180 -45.62 -24.92 0.39 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.759 0.314 . . . . 0.0 111.386 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.17 -50.12 7.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.607 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.543 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -66.17 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.38 0.61 . . . . 0.0 110.117 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 13' ' ' LEU . . . -86.52 -20.48 27.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.404 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 41.1 ttt85 -43.92 -29.76 0.61 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.516 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.0 39.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.485 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -163.5 -166.6 1.25 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.961 0.41 . . . . 0.0 111.456 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 22' ' ' LEU . 38.7 m -96.92 162.2 13.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.683 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.964 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.39 -15.34 10.28 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.515 0.198 . . . . 0.0 110.586 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.49 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.559 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.665 HG21 HD11 ' A' ' 13' ' ' LEU . 5.2 t -52.22 -43.03 64.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.891 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD21 HD12 ' A' ' 22' ' ' LEU . 1.2 pp -68.11 -42.81 79.7 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.753 ' HG2' HG13 ' B' ' 10' ' ' ILE . 3.7 tm-20 -54.17 -26.62 28.92 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 50.5 mt-10 -83.19 -48.97 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.837 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.452 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 20.5 mmt -89.27 -49.93 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.963 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.719 HD23 HD11 ' B' ' 7' ' ' LEU . 61.8 tp -56.0 -36.56 68.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.409 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HB2' HG22 ' B' ' 10' ' ' ILE . 42.4 tt0 -69.43 -33.25 72.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.531 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.642 ' HA ' HG21 ' A' ' 34' ' ' VAL . 60.0 mmtt -87.45 -32.23 19.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.721 0.772 . . . . 0.0 110.215 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.874 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 23.0 tp -67.44 -23.49 65.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.755 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.681 ' N ' HD21 ' B' ' 32' ' ' LEU . 1.8 pt-20 -85.32 -40.78 16.16 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.049 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.642 HG21 ' HA ' ' A' ' 31' ' ' LYS . 25.8 m -68.62 -37.09 77.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.244 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.773 HG12 ' HA ' ' A' ' 32' ' ' LEU . 6.4 p -56.02 -47.6 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.655 ' H ' HG11 ' A' ' 35' ' ' VAL . 8.0 p -83.48 -20.37 9.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.007 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 31.2 t30 -56.5 -38.77 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.9 -41.79 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.049 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.804 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.79 -49.92 23.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.417 0.627 . . . . 0.0 110.53 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.599 ' NH2' HG13 ' B' ' 35' ' ' VAL . 2.9 mmt-85 -47.04 -39.01 11.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -87.15 -54.84 4.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 56.2 mt-10 -88.51 -39.35 14.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.804 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 66.2 mm-40 -72.85 -42.67 63.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.869 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -55.14 -33.66 63.09 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -62.43 -43.93 97.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 0.0 109.215 177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.55 86.37 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.829 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.89 89.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.478 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -58.96 -40.08 83.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.219 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 51' ' ' GLU . 17.5 tp10 -58.95 -44.27 91.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.03 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 48' ' ' ALA . 60.1 t 71.45 -56.13 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.669 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 51.6 mt-10 59.59 -144.99 0.53 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.686 ' HG2' ' HG3' ' A' ' 53' ' ' ARG . 39.2 tt0 62.74 131.01 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.686 ' HG3' ' HG2' ' A' ' 52' ' ' GLU . 77.0 mtp180 72.89 -40.06 0.46 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.692 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 52' ' ' GLU . 79.1 p -55.88 133.83 51.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.55 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -67.76 -139.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.66 -42.68 99.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.07 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.436 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.517 ' N ' HD22 ' B' ' 4' ' ' LEU . 47.0 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.585 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.2 tp10 -76.21 -26.31 55.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.326 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.496 ' HA ' HG22 ' B' ' 6' ' ' ILE . . . -86.05 -24.42 26.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.689 0.756 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.535 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.4 mm? -86.29 -42.05 14.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.913 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -83.31 -23.5 32.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.753 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.585 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 6.0 tt -53.92 -50.93 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.856 0.836 . . . . 0.0 109.637 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.719 HD11 HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -101.75 -4.61 26.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.122 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 50.97 37.29 17.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.257 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.526 ' C ' HD12 ' B' ' 7' ' ' LEU . 2.5 m120 62.82 130.01 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.13 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.753 HG13 ' HG2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.34 -31.32 26.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.567 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.481 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -55.51 -50.59 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.8 m -72.67 -35.69 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' B' ' 17' ' ' ALA . 4.2 tp -62.8 -59.54 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.508 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' B' ' 18' ' ' ARG . 75.8 mtp180 -43.6 -27.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.034 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.621 ' HA ' ' HG2' ' B' ' 18' ' ' ARG . . . -83.72 -49.34 9.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.826 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.749 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -66.81 -25.61 66.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.399 0.618 . . . . 0.0 110.008 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.817 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -85.6 -18.87 32.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.583 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.621 ' HG2' ' HA ' ' B' ' 15' ' ' ALA . 23.7 mmm180 -39.87 -31.05 0.1 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.193 0.52 . . . . 0.0 109.688 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.82 49.08 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.131 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 17' ' ' ALA . 46.7 t -173.33 152.6 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.575 HG22 ' H ' ' B' ' 22' ' ' LEU . 27.4 m -72.36 167.68 19.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.865 HD11 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -56.73 -14.97 3.77 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.767 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -40.31 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.611 0.243 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.7 t -53.92 -42.18 68.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.238 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.865 HD21 HD11 ' B' ' 22' ' ' LEU . 1.1 pp -68.27 -43.44 77.79 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 110.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.709 ' N ' HD12 ' B' ' 25' ' ' LEU . 37.6 tt0 -58.22 -23.77 56.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.1 tt0 -83.87 -53.33 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.634 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 21.2 mmt -89.85 -49.22 6.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.373 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' B' ' 25' ' ' LEU . 22.1 tp -60.84 -33.99 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.533 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.8 ' HB2' HG22 ' A' ' 10' ' ' ILE . 32.2 tt0 -66.61 -33.46 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.707 ' HA ' HG21 ' B' ' 34' ' ' VAL . 27.1 mmtp -85.3 -28.34 25.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.739 0.78 . . . . 0.0 109.533 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.874 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.4 tp -64.73 -26.61 68.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.579 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.717 ' HB3' HD23 ' A' ' 32' ' ' LEU . 12.2 pt-20 -85.67 -39.45 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.696 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' B' ' 31' ' ' LYS . 14.2 m -65.12 -34.59 71.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.789 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 27.5 m -55.84 -45.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.664 ' HA ' ' HB2' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -81.44 -20.35 10.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.9 t-20 -53.61 -36.58 62.13 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -82.11 -44.2 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.227 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.4 -56.27 7.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.902 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.766 HH21 HG21 ' A' ' 35' ' ' VAL . 20.5 mmt180 -46.65 -38.85 10.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -86.11 -50.81 6.74 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.4 tt0 -88.75 -42.57 11.86 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.897 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 44.4 mm-40 -70.25 -45.04 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.93 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -55.12 -33.27 62.72 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.8 -43.28 96.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.497 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.75 91.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.26 73.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.56 91.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.65 -44.2 85.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.607 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 59.5 t 64.98 137.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -161.02 138.23 9.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.98 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -171.0 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.708 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' B' ' 53' ' ' ARG . 33.9 ptt85 -172.61 40.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 71.4 p -80.98 36.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.577 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 52.76 -143.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -67.36 -48.09 68.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.846 0.355 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.86 ' HA ' HD21 ' A' ' 4' ' ' LEU . 52.2 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.934 0.397 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 5.5 tp10 -81.16 -30.32 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 6' ' ' ILE . . . -78.59 -26.6 45.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 122.105 0.955 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.86 HD21 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -84.59 -40.71 17.2 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.303 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 44.9 tptt -76.19 -36.35 58.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.583 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.86 -53.42 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 122.523 1.154 . . . . 0.0 108.548 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD21 HG23 ' A' ' 10' ' ' ILE . 2.3 tt -75.18 -27.06 59.5 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.933 -1.94 . . . . 0.0 108.741 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.15 6.19 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' CA ' HD23 ' A' ' 7' ' ' LEU . 71.6 m-80 67.98 124.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.399 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.837 HG23 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -50.03 -27.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.509 -179.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -53.79 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.24 . . . . 0.0 111.343 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -86.98 -29.79 21.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 111.042 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.811 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.6 tt -61.72 -60.3 3.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.649 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 68.9 mtp180 -44.89 -31.86 1.4 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.946 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.43 13.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.728 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 13' ' ' LEU . 24.9 pt20 -63.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.76 0.791 . . . . 0.0 109.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 13' ' ' LEU . . . -86.4 -20.88 27.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.636 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.5 ttt-85 -44.82 -32.07 1.44 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -91.63 31.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.432 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 58.7 m -164.69 -162.85 0.68 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 111.319 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.565 HG21 ' N ' ' A' ' 22' ' ' LEU . 43.2 m -92.05 160.72 15.09 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.786 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -59.67 -13.98 12.02 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.438 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.91 -25.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.63 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.646 HG23 HD21 ' A' ' 13' ' ' LEU . 5.0 t -51.0 -42.2 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.8 -41.81 78.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.707 ' N ' HD11 ' A' ' 25' ' ' LEU . 81.7 tt0 -55.8 -24.5 36.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 tt0 -84.27 -53.64 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.02 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.483 ' HE1' ' OE2' ' A' ' 27' ' ' GLU . 23.1 mmt -88.96 -46.59 8.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.112 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.667 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 38.6 tp -60.67 -23.06 64.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.719 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.635 ' HB2' HG23 ' B' ' 10' ' ' ILE . 32.2 tt0 -78.0 -32.45 51.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.86 ' HA ' HG23 ' A' ' 34' ' ' VAL . 26.1 mmtp -86.62 -33.61 20.09 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.692 0.758 . . . . 0.0 109.866 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.92 HD23 ' HB3' ' B' ' 33' ' ' GLU . 12.0 tp -64.66 -25.5 67.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.195 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.661 ' N ' HD21 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.99 -43.87 13.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.771 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.86 HG23 ' HA ' ' A' ' 31' ' ' LYS . 27.1 m -64.64 -31.76 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.498 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.756 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 26.9 m -56.43 -45.14 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.651 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -76.28 -35.15 27.0 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.837 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' OD1' HD13 ' B' ' 4' ' ' LEU . 51.6 t30 -42.83 -39.53 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.51 -46.01 34.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.519 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.8 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.09 -52.34 14.64 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 121.116 0.484 . . . . 0.0 110.901 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.0 mmm180 -43.13 -38.76 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.14 -0.35 . . . . 0.0 110.347 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.49 -45.34 11.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.5 mm-40 -84.8 -43.9 13.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.956 0.408 . . . . 0.0 112.029 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.002 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.2 tm-20 -55.96 -47.84 76.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -55.85 -36.14 67.21 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.08 -40.58 90.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.984 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.91 95.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.418 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.21 84.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.39 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.57 42.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.577 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.84 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.819 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.8 57.67 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 112.018 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.48 144.81 24.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -136.43 -41.32 0.63 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 4.5 tmm_? -58.86 -46.17 88.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.3 p -60.86 129.47 41.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.514 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.596 ' H ' ' HD2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -66.16 139.38 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.601 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -170.8 54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 110.52 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.917 -179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.559 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 -75.8 -38.99 57.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.651 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -79.04 -19.98 50.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -82.22 -43.14 18.02 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.915 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.726 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.7 tmtt? -84.7 -23.17 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 3.7 tt -52.99 -45.47 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.586 0.708 . . . . 0.0 109.418 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.693 HD12 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.11 -9.27 17.9 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.59 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.35 34.39 13.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.575 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 62.2 126.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.788 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -53.38 -28.72 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.462 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.3 ptt180 -59.4 -48.32 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.3 m -79.8 -39.92 29.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.59 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.666 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -64.18 -53.52 48.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.473 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.745 ' HG2' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -48.59 -29.32 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.15 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.24 -50.88 6.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.666 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.1 pt20 -63.45 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.525 0.678 . . . . 0.0 109.969 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' B' ' 13' ' ' LEU . . . -85.61 -24.09 27.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.256 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.1 ttt-85 -46.05 -32.09 2.65 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -84.26 26.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -161.81 -155.35 0.38 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.369 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.627 HG21 ' H ' ' B' ' 22' ' ' LEU . 49.0 m -96.32 158.35 15.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.806 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.4 OUTLIER -60.83 -13.33 14.73 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.437 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' NH1' ' A' ' 14' ' ' ARG . 43.3 tt0 -40.03 -25.38 0.02 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.624 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.626 HG23 HD23 ' B' ' 13' ' ' LEU . 4.6 t -51.74 -37.95 53.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.33 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 0.7 OUTLIER -67.73 -44.51 77.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.125 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.823 ' HG3' HG13 ' A' ' 10' ' ' ILE . 26.0 tt0 -58.65 -21.69 54.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.8 tp10 -82.97 -56.17 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.721 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.3 mmt -90.93 -45.87 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.892 HD12 HD22 ' A' ' 32' ' ' LEU . 44.3 tp -62.67 -40.65 97.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.992 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' B' ' 26' ' ' GLU . 40.4 tt0 -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 111.082 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG21 ' B' ' 34' ' ' VAL . 24.5 mmtp -86.09 -25.13 26.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.594 0.711 . . . . 0.0 109.095 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.852 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.0 tp -67.8 -26.48 66.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.798 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.92 ' HB3' HD23 ' A' ' 32' ' ' LEU . 14.3 pt-20 -83.84 -38.56 21.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.97 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' B' ' 31' ' ' LYS . 26.2 m -72.08 -38.17 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.3 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.811 HG13 ' HA ' ' B' ' 32' ' ' LEU . 7.2 p -55.97 -48.94 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.698 ' H ' HG12 ' B' ' 35' ' ' VAL . 7.5 p -79.36 -32.52 14.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.755 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.561 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 33.7 t30 -42.72 -43.16 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 109.717 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.27 -42.45 93.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.749 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.002 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.11 -49.73 22.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.567 179.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.565 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 7.1 mmm180 -45.06 -41.39 7.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.861 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.59 ' HG3' ' HG3' ' B' ' 42' ' ' GLU . 16.8 pt-20 -88.06 -46.53 9.25 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.59 ' HG3' ' HG3' ' B' ' 41' ' ' GLU . 55.8 mt-10 -87.27 -43.97 11.78 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.8 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 25.4 tp10 -59.56 -45.8 90.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.786 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -57.97 -35.54 71.31 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -64.31 -41.61 96.75 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.998 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . . . -62.64 -41.97 99.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.398 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.481 ' O ' HG13 ' B' ' 50' ' ' VAL . . . -59.37 -37.48 78.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.769 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.68 -45.32 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.491 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' B' ' 46' ' ' ALA . 0.9 OUTLIER -76.42 0.01 21.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.481 HG13 ' O ' ' B' ' 47' ' ' ALA . 12.7 p -45.94 -32.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.264 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.458 ' N ' HG12 ' B' ' 50' ' ' VAL . 88.1 tt0 67.61 132.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -179.71 50.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' B' ' 53' ' ' ARG . 51.5 ttt-85 -158.29 -38.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.751 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 71.3 p -53.34 144.84 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.98 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -75.29 40.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.163 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -68.7 134.26 49.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.658 0.266 . . . . 0.0 110.65 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.842 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.727 ' HA ' HD21 ' A' ' 4' ' ' LEU . 40.4 t . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.7 tt0 -80.16 -26.74 39.19 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.235 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 6' ' ' ILE . . . -78.86 -26.73 44.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.918 0.866 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.727 HD21 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -84.89 -37.37 20.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.392 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.652 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.18 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -53.67 -53.11 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.487 0.66 . . . . 0.0 109.617 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -95.64 -8.58 34.44 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.031 178.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 62.76 28.65 16.58 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.536 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 3.7 m120 63.51 129.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.174 0.511 . . . . 0.0 111.68 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.667 HG22 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -59.69 -21.09 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.591 179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.536 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 39.0 ptt180 -60.19 -55.82 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 13' ' ' LEU . 14.8 t -78.74 -31.97 46.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.628 ' O ' HD21 ' A' ' 13' ' ' LEU . 5.8 tt -61.4 -46.07 91.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.227 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.536 ' NH1' ' HB3' ' B' ' 23' ' ' GLU . 24.4 tpt180 -43.14 -38.74 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.631 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.498 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . . . -87.25 -41.36 13.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.042 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.445 HE21 ' HA ' ' A' ' 13' ' ' LEU . 5.5 tt0 -55.63 -42.02 74.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.027 0.917 . . . . 0.0 109.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' HB1' HD12 ' B' ' 22' ' ' LEU . . . -88.41 -19.69 26.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . 29.3 tpt180 -44.34 -30.0 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.191 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -94.05 35.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.446 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 80.8 p -169.7 -163.55 0.39 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.046 0.451 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.708 HG21 ' H ' ' A' ' 22' ' ' LEU . 28.2 m -96.9 165.89 11.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.875 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -59.81 -15.08 18.03 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.585 0.231 . . . . 0.0 110.485 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -40.48 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.784 0.326 . . . . 0.0 110.574 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.6 -42.08 64.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.69 -44.96 80.32 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.985 0.422 . . . . 0.0 110.083 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.711 ' N ' HD12 ' A' ' 25' ' ' LEU . 37.9 tt0 -54.33 -25.91 26.71 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.68 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.0 mm-40 -82.8 -52.72 6.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.969 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.6 mtt -88.93 -46.36 8.96 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.234 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD12 HD23 ' B' ' 32' ' ' LEU . 14.2 tp -52.6 -42.02 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.371 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 34' ' ' VAL . 21.8 tp10 -64.06 -31.33 72.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.518 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.766 ' HA ' HG21 ' A' ' 34' ' ' VAL . 23.6 mmtp -85.19 -36.49 20.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.067 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.959 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 33.9 tp -66.63 -21.57 66.12 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.843 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.653 ' N ' HD22 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -85.94 -44.02 12.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.312 179.109 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.766 HG21 ' HA ' ' A' ' 31' ' ' LYS . 32.9 m -68.6 -34.99 68.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.184 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.778 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 7.3 p -55.92 -50.29 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.995 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 8.1 p -80.62 -19.47 11.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.117 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 52.1 t30 -54.61 -41.77 70.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.45 -42.41 62.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.197 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.015 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.75 -48.28 66.87 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.475 0.655 . . . . 0.0 110.889 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 4.3 mmm180 -48.19 -44.45 32.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.714 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 12.4 pt-20 -84.4 -35.26 23.24 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 43.6 tp10 -77.27 -39.6 47.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 111.59 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.992 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 24.0 mm-40 -59.61 -47.36 85.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -34.82 68.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -67.84 -41.48 82.9 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.464 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.06 93.63 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.925 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.62 70.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.353 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.49 -41.94 83.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.87 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 12.5 pt-20 -66.8 -44.77 80.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.856 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.541 HG12 ' HG3' ' A' ' 51' ' ' GLU . 8.1 p -63.57 -48.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.652 0.263 . . . . 0.0 111.606 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG3' HG12 ' A' ' 50' ' ' VAL . 55.1 mt-10 -83.01 129.02 34.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -151.65 -63.08 0.18 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.659 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -158.5 -46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 p -80.35 135.1 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 55' ' ' ARG . 41.6 mmt-85 -64.07 -36.97 85.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.776 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 27.2 tptp 62.66 47.11 4.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.813 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.51 ' HA ' HD21 ' B' ' 4' ' ' LEU . 54.3 m . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.561 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 96.0 mt-10 -74.26 -28.43 61.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.226 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.482 ' HA ' HG23 ' B' ' 6' ' ' ILE . . . -71.52 -27.38 63.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.816 0.817 . . . . 0.0 110.401 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.558 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.9 mm? -84.01 -41.98 16.68 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.417 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.649 ' HD2' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -85.06 -23.33 28.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.532 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -54.61 -60.63 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.664 HD13 HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -85.53 -10.86 55.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.133 178.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 61.02 33.99 19.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.672 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 3.3 m120 61.65 127.24 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.573 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.664 HG22 HD13 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -58.25 -28.18 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.28 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.581 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.0 ptt180 -59.74 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.992 0.425 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 95.3 m -78.01 -38.24 45.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.072 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.707 HD23 HG22 ' B' ' 24' ' ' THR . 6.2 tt -62.54 -52.83 61.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.307 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.875 ' HG3' HD21 ' A' ' 22' ' ' LEU . 43.3 ttt-85 -47.5 -31.51 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.352 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.75 -50.16 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.617 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 12.2 pt20 -62.42 -33.97 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.492 0.663 . . . . 0.0 109.837 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.607 ' HB2' HD21 ' B' ' 13' ' ' LEU . . . -85.73 -23.92 27.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.216 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.9 tpt180 -45.09 -31.57 1.43 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.013 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.2 29.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.419 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.2 p -165.12 -156.02 0.28 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.935 0.398 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.571 HG21 ' N ' ' B' ' 22' ' ' LEU . 27.3 m -99.5 164.89 11.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.787 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.777 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.58 -14.09 11.94 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.536 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 16.7 pt-20 -40.04 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.707 HG22 HD23 ' B' ' 13' ' ' LEU . 4.1 t -52.29 -41.09 62.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.117 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -69.33 -45.14 70.19 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.151 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.728 ' N ' HD11 ' B' ' 25' ' ' LEU . 28.8 tt0 -55.11 -25.12 29.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 24.3 tt0 -83.37 -54.03 5.29 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.193 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.06 -46.27 8.98 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' B' ' 25' ' ' LEU . 43.9 tp -55.65 -39.23 70.62 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.531 ' O ' HG13 ' B' ' 34' ' ' VAL . 42.6 tt0 -65.17 -29.42 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.826 ' HA ' HG23 ' B' ' 34' ' ' VAL . 25.6 mmtp -87.43 -32.22 19.63 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.601 0.715 . . . . 0.0 109.737 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.959 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 40.9 tp -67.32 -23.63 65.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.764 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.873 ' HB3' HD21 ' A' ' 32' ' ' LEU . 11.2 pt-20 -85.64 -41.03 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.787 178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.826 HG23 ' HA ' ' B' ' 31' ' ' LYS . 24.7 m -68.36 -35.16 69.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.13 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.748 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.3 p -56.83 -49.63 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.995 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.3 p -81.13 -18.95 11.61 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.054 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.497 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 50.1 t30 -56.72 -42.9 80.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.531 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 57.0 mm-40 -69.89 -43.23 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.849 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.992 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.07 -50.99 51.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.494 0.664 . . . . 0.0 110.453 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' B' ' 36' ' ' VAL . 5.4 mmm180 -44.91 -43.39 8.88 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.311 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -79.96 -41.31 26.23 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 44.1 tp10 -77.88 -42.01 34.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.201 0.524 . . . . 0.0 111.661 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 1.015 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 13.0 mm-40 -54.84 -48.68 72.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -57.46 -35.45 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -67.06 -40.56 87.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.233 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.495 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -62.53 -41.3 98.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' B' ' 51' ' ' GLU . . . -68.6 -40.97 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.25 84.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 16.2 pt-20 -67.5 -44.51 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.69 -43.36 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.613 0.244 . . . . 0.0 111.556 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 47' ' ' ALA . 96.6 mt-10 -62.82 126.44 27.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -155.54 152.05 28.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.412 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.4 ' HG3' HH11 ' B' ' 53' ' ' ARG . 35.5 ptt85 -75.92 44.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 68.7 p -149.13 -39.4 0.15 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.506 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.9 OUTLIER 64.95 129.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.587 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 3.4 mmmp? -66.92 137.48 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.813 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.885 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.68 ' H ' HH12 ' B' ' 40' ' ' ARG . 39.4 tt0 -73.32 -29.19 62.51 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' B' ' 40' ' ' ARG . . . -76.04 -25.98 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.853 0.835 . . . . 0.0 110.375 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -84.98 -40.35 17.02 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.372 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.31 -21.66 30.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.697 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.727 HD12 ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.56 -49.25 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-O 121.88 0.848 . . . . 0.0 109.118 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.736 HD12 HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.76 -10.88 22.47 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.946 179.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.9 31.43 11.48 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.757 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.7 m120 60.04 126.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.736 HG22 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -56.03 -27.1 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.628 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 35.3 ptt180 -62.15 -53.37 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.3 m -70.25 -33.06 71.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.326 0.584 . . . . 0.0 110.218 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.769 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.8 tp -63.19 -56.4 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.809 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.2 tpt180 -45.05 -28.64 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.36 -49.81 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.482 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.769 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.4 pt20 -65.1 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 109.817 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.49 -19.01 30.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -43.25 -30.61 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.732 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -101.56 41.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.661 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' ALA . 46.7 t -172.64 171.7 4.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -73.21 175.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.494 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.793 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -72.72 -13.93 61.45 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.439 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.596 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 39.2 tt0 -39.83 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.0 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.0 t -51.53 -39.98 58.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.101 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -68.28 -44.0 76.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.026 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.709 ' N ' HD12 ' A' ' 25' ' ' LEU . 68.7 tt0 -54.2 -25.33 22.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 45.0 mm-40 -82.87 -54.54 5.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.782 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.523 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 21.4 mmt -89.3 -46.32 8.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.235 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 25' ' ' LEU . 25.2 tp -56.16 -39.71 72.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.09 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' B' ' 10' ' ' ILE . 40.9 tt0 -65.22 -29.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.443 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.757 ' HA ' HG23 ' A' ' 34' ' ' VAL . 62.9 mmtt -87.97 -37.77 16.11 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.748 0.785 . . . . 0.0 110.275 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.906 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 18.0 tp -61.35 -24.47 66.48 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.485 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.691 ' HB3' HD23 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -84.64 -29.02 26.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.757 HG23 ' HA ' ' A' ' 31' ' ' LYS . 10.6 t -68.25 -44.17 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.765 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 17.4 m -51.61 -42.44 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.692 HG12 HG23 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -86.98 -20.46 7.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.407 177.144 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.596 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 11.9 t-20 -57.46 -41.02 79.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.63 ' HG3' ' HD2' ' A' ' 39' ' ' ARG . 10.7 pt-20 -82.87 -42.18 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.316 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.765 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.02 -56.36 7.16 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 16.6 mmm180 -45.66 -38.72 7.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.559 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.31 -42.9 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 67.5 mm-40 -84.46 -43.84 14.23 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.998 0.428 . . . . 0.0 112.014 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.084 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 5.1 tp10 -59.97 -48.7 80.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.16 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -53.73 -34.27 58.36 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -68.43 -43.54 76.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.364 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . -62.1 -41.35 98.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.12 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.47 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.769 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.48 89.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.83 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 24.8 pt-20 -64.13 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.379 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 52' ' ' GLU . 94.7 t 71.5 -63.45 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 50' ' ' VAL . 41.6 tt0 71.59 -35.14 0.32 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.37 -0.377 . . . . 0.0 112.008 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.2 mm-40 -60.96 -49.11 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -67.59 -41.5 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.7 p -64.01 136.98 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 9.2 mpt_? -63.59 -50.65 68.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LYS . 38.0 ttpt 55.34 47.36 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.114 0.483 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.425 ' HB3' HD22 ' B' ' 4' ' ' LEU . 50.1 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.504 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.7 tt0 -77.87 -27.77 49.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 36' ' ' VAL . . . -74.64 -22.86 58.69 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.969 0.89 . . . . 0.0 110.295 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -84.29 -44.98 13.31 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.154 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.671 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -81.11 -25.83 36.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.314 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.616 ' CG2' ' H ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -53.3 -61.4 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.713 HD13 HD12 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -83.85 -9.96 58.37 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.041 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 34.84 20.46 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.324 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 60.82 128.62 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.516 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.702 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -57.42 -27.86 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.711 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -56.84 -51.15 70.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.504 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.0 m -82.64 -37.42 24.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.519 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.825 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.1 tt -62.76 -56.79 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.776 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 30.7 ttt85 -44.0 -34.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.322 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.98 -48.55 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.331 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.825 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.2 pt20 -61.83 -36.8 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.739 0.78 . . . . 0.0 109.787 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' B' ' 13' ' ' LEU . . . -86.45 -22.12 26.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.623 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.9 tpt180 -46.19 -31.03 2.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.928 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.44 28.83 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.422 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -165.25 -157.76 0.35 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.285 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.4 p -92.94 166.65 12.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.381 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.894 HD12 HD22 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -63.05 -13.73 39.39 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.001 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -38.96 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.622 0.248 . . . . 0.0 110.842 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.525 HG21 HD11 ' B' ' 13' ' ' LEU . 51.7 m -51.56 -43.4 62.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.894 HD22 HD12 ' B' ' 22' ' ' LEU . 1.3 pp -68.41 -44.46 74.97 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.239 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.715 ' N ' HD13 ' B' ' 25' ' ' LEU . 34.0 tt0 -56.44 -24.78 47.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.3 tp10 -83.49 -57.4 3.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.942 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.473 ' O ' HD13 ' B' ' 6' ' ' ILE . 65.8 mtt -89.31 -45.17 9.7 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 32' ' ' LEU . 60.7 tp -58.97 -29.42 67.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.683 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.67 ' HB2' HG21 ' A' ' 10' ' ' ILE . 34.2 tt0 -71.35 -31.33 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 110.427 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.828 ' HA ' HG22 ' B' ' 34' ' ' VAL . 57.3 mmtt -86.34 -27.59 24.2 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.609 0.719 . . . . 0.0 109.595 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.906 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 18.9 tp -68.07 -26.05 65.65 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.659 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.898 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.9 pt-20 -84.19 -35.49 23.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.51 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.828 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.1 m -71.54 -37.85 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.236 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.692 HG23 HG12 ' A' ' 36' ' ' VAL . 16.4 m -55.22 -48.01 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.655 ' H ' HG21 ' B' ' 35' ' ' VAL . 5.9 p -82.45 -19.59 10.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.644 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 35.4 t30 -57.77 -37.97 74.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -74.54 -40.39 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.454 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.084 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -75.27 -48.03 25.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.281 0.562 . . . . 0.0 110.77 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.68 HH12 ' H ' ' A' ' 2' ' ' GLU . 1.3 mmm-85 -46.01 -41.06 11.42 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.014 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -86.71 -45.5 10.9 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.46 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 4.9 mm-40 -87.78 -46.74 9.19 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.705 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 28.6 tp10 -62.57 -47.03 85.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -59.03 -32.62 69.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -65.71 -41.49 92.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.258 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.78 98.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.451 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.468 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -70.24 -46.21 64.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.339 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.31 91.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.105 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -56.37 -44.42 80.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 47' ' ' ALA . 33.6 t 58.29 64.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.038 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.73 49.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 39.1 tt0 -169.3 40.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.154 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' B' ' 53' ' ' ARG . 10.8 tpt180 -175.59 40.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.0 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.43 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 69.7 p -147.44 -137.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.758 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' B' ' 55' ' ' ARG . 40.3 mmt-85 -138.41 136.36 36.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 56' ' ' LYS . 37.9 ttpt -171.05 42.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.192 0.52 . . . . 0.0 110.438 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.486 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -73.2 -27.64 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.721 ' HB1' ' HB ' ' B' ' 36' ' ' VAL . . . -75.67 -20.82 58.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.895 0.855 . . . . 0.0 110.036 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.47 -45.05 11.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.222 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -80.54 -24.42 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.363 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.55 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -53.33 -55.73 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.85 0.833 . . . . 0.0 109.283 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.595 HD12 HD23 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -7.44 48.2 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.577 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 61.78 33.09 17.99 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.558 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.615 ' HB3' HH11 ' A' ' 11' ' ' ARG . 2.9 m120 63.84 129.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.135 0.493 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.734 HD12 ' HB2' ' B' ' 30' ' ' GLU . 16.4 pt -55.81 -26.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.211 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.615 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.2 ptp85 -53.88 -54.16 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.45 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 13.1 t -88.41 -31.04 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HA ' HE21 ' A' ' 16' ' ' GLN . 1.7 tm? -62.2 -53.85 49.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.672 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.86 ' HA ' HD13 ' B' ' 22' ' ' LEU . 22.4 ptt85 -53.24 -31.58 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.965 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.21 -50.88 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.4 pt20 -61.46 -33.64 74.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 109.769 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 13' ' ' LEU . . . -86.21 -22.83 26.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.159 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.61 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.9 tpt85 -48.72 -31.81 7.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.721 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 16.4 pt-20 -58.67 -37.88 76.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -96.96 -137.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.9 m -123.81 -176.81 3.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -59.98 -16.75 33.01 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.061 0.458 . . . . 0.0 110.281 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.9 tt0 -43.53 -26.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.348 0.594 . . . . 0.0 110.109 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 17' ' ' ALA . 5.1 t -57.96 -40.57 80.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.759 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' B' ' 25' ' ' LEU . 1.1 pp -70.31 -45.25 66.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.492 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.738 ' N ' HD11 ' A' ' 25' ' ' LEU . 15.7 pt-20 -55.81 -22.93 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.2 tp10 -83.4 -55.48 4.29 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.638 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.26 -47.58 7.96 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.677 HD11 HD11 ' B' ' 29' ' ' LEU . 50.8 tp -55.08 -34.2 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.701 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.721 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 16.1 tp10 -66.63 -36.41 82.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 34' ' ' VAL . 57.0 mmtt -74.91 -25.45 58.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.76 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 18.2 tp -72.65 -29.44 63.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.892 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.721 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -84.45 -32.74 23.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.467 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.8 m -72.65 -40.83 62.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.293 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.736 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 11.5 m -52.95 -49.28 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.678 HG12 HD12 ' B' ' 32' ' ' LEU . 5.0 p -84.59 -18.44 9.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.802 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 21.8 t30 -56.82 -39.57 74.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.06 -40.5 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.796 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.922 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.94 -53.36 21.27 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.635 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.57 ' HG3' ' HB3' ' B' ' 3' ' ' ALA . 9.5 mmm180 -44.96 -42.4 8.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.43 -42.11 17.33 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 5.5 tp10 -84.23 -45.06 13.29 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.779 ' HG2' ' HG2' ' B' ' 43' ' ' GLU . 1.6 tm-20 -55.27 -49.92 70.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.265 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.8 m -57.68 -35.84 71.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -63.82 -41.04 97.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.062 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.37 95.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.691 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.945 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.5 -47.52 81.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.64 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.98 -47.87 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -78.57 125.85 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' OE2' ' HB ' ' A' ' 54' ' ' THR . 38.7 tt0 177.43 130.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.035 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -77.21 40.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 ' HB ' ' OE2' ' A' ' 52' ' ' GLU . 8.6 t -67.35 -34.43 77.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.596 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 69.19 134.61 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -79.98 45.71 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 57' ' ' LEU . 7.0 mp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.108 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.645 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 54.4 mt-10 -73.01 -14.43 61.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.57 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . . . -75.07 -32.49 61.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.513 1.149 . . . . 0.0 109.559 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' B' ' 9' ' ' ASN . 1.2 mt -86.01 -47.76 9.29 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 112.984 -1.916 . . . . 0.0 110.328 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -71.91 -29.17 64.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.058 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -54.35 -49.11 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.287 1.041 . . . . 0.0 108.707 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' B' ' 9' ' ' ASN . 0.1 OUTLIER -91.1 -16.2 28.21 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.926 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER 60.59 30.04 19.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.548 -178.434 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.4 m120 63.11 125.81 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.642 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 30' ' ' GLU . 20.7 pt -51.57 -27.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.45 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.5 ptm180 -59.08 -51.21 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -80.74 -37.02 31.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 110.723 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.671 HD13 HD22 ' A' ' 25' ' ' LEU . 1.6 tm? -62.24 -49.81 74.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.45 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.762 ' HA ' HD13 ' A' ' 22' ' ' LEU . 25.4 ttt85 -52.09 -34.49 44.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.716 0.294 . . . . 0.0 111.565 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.88 -50.1 8.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.607 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.7 pt20 -63.29 -33.16 74.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 109.901 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' B' ' 13' ' ' LEU . . . -85.79 -22.74 27.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.6 tpt180 -48.95 -29.68 5.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.331 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 -138.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.667 HG23 ' H ' ' B' ' 22' ' ' LEU . 2.1 m -118.76 -161.88 0.87 Allowed 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.86 HD13 ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -69.95 -16.04 63.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.202 0.525 . . . . 0.0 109.764 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 89.1 tt0 -43.45 -25.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.446 0.641 . . . . 0.0 110.131 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.4 t -57.66 -40.12 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.507 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.781 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -69.92 -44.57 69.38 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.277 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.736 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 11.2 pt-20 -54.73 -22.57 14.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 79.7 tt0 -84.38 -54.96 4.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.29 -45.22 10.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.814 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.694 HD12 HD23 ' A' ' 32' ' ' LEU . 12.4 tp -60.32 -18.75 51.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.327 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.734 ' HB2' HD12 ' A' ' 10' ' ' ILE . 5.1 tp10 -82.37 -33.19 28.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.495 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.879 ' HA ' HG22 ' B' ' 34' ' ' VAL . 22.4 mmtp -86.13 -32.05 21.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.865 0.84 . . . . 0.0 109.479 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.76 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 10.3 tp -71.52 -22.87 61.72 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.296 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -86.38 -39.03 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.258 178.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.879 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.3 m -65.51 -37.38 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.175 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.763 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 19.4 m -53.14 -45.45 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.721 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -81.52 -20.87 10.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.6 177.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.48 ' OD1' HD11 ' A' ' 4' ' ' LEU . 32.8 t30 -58.23 -35.16 71.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.23 -42.47 17.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.249 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.763 ' HD2' ' O ' ' B' ' 35' ' ' VAL . 0.0 OUTLIER -73.17 -55.11 6.91 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.238 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.709 HH21 HG11 ' A' ' 35' ' ' VAL . 22.4 mmt180 -43.95 -38.46 3.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -86.14 -42.86 13.52 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 17.7 tp10 -85.15 -46.5 11.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.922 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -52.99 -50.69 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.1 m -58.09 -35.91 72.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -62.92 -41.37 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.386 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.1 95.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.587 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.23 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.45 85.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.82 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.95 -53.96 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.237 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.06 132.58 43.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 178.74 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 66.05 36.33 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.564 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 92.2 m -71.93 124.33 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.71 135.86 40.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.719 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.598 ' HZ3' ' HB3' ' B' ' 56' ' ' LYS . 3.2 mmmp? -66.61 -139.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.753 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' B' ' 40' ' ' ARG . 43.6 tp10 -78.7 -35.97 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.7 -20.82 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.974 0.892 . . . . 0.0 110.004 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.67 -44.36 12.64 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.154 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -82.42 -23.89 34.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.22 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 3.6 tt -52.91 -56.48 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 CA-C-O 121.752 0.787 . . . . 0.0 109.29 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.556 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -92.55 -7.65 46.62 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.595 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' ' HB ' ' A' ' 12' ' ' THR . 74.7 m-80 60.1 31.37 20.55 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.027 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.482 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 2.7 m120 62.33 130.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.219 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -51.49 -26.09 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.716 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.3 ptt180 -61.67 -50.28 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.3 m -74.63 -40.45 61.5 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -62.98 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.829 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.9 tpt180 -46.27 -32.03 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.213 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.54 -49.9 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.708 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.23 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 109.976 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.591 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -86.57 -19.33 29.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.617 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -41.87 -30.22 0.25 Allowed 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.064 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -109.26 46.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.578 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HG ' ' H ' ' A' ' 21' ' ' THR . 43.8 t -167.81 173.62 8.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 111.402 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.56 HG21 ' N ' ' A' ' 22' ' ' LEU . 43.6 m -78.42 160.15 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.798 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.42 -15.25 35.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.535 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -40.54 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.841 0.353 . . . . 0.0 110.465 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 t -52.0 -43.16 63.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.785 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' B' ' 25' ' ' LEU . 1.1 pp -66.81 -44.51 81.02 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.724 ' N ' HD12 ' A' ' 25' ' ' LEU . 32.1 tt0 -53.19 -26.97 19.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.3 tt0 -83.23 -50.4 8.45 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.012 178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -88.4 -48.99 7.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 111.834 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.668 ' N ' ' O ' ' A' ' 25' ' ' LEU . 40.9 tp -54.0 -39.79 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.017 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.681 ' HB2' HG21 ' B' ' 10' ' ' ILE . 37.4 tt0 -62.88 -32.87 74.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.942 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.675 ' HA ' HG23 ' A' ' 34' ' ' VAL . 25.4 mmtp -86.48 -29.65 22.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.678 0.751 . . . . 0.0 109.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD22 HD11 ' B' ' 29' ' ' LEU . 13.5 tp -67.26 -25.75 66.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.812 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.689 ' HB3' HD22 ' B' ' 32' ' ' LEU . 1.5 pp20? -86.02 -39.1 17.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.979 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -65.57 -36.42 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 36' ' ' VAL . 14.3 m -55.95 -48.8 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.613 ' HB ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -79.09 -20.34 12.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.523 178.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 46.6 t30 -55.44 -39.92 70.9 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -79.11 -42.64 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.444 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.884 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.66 -53.58 11.39 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.843 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.646 HH11 ' HA ' ' A' ' 40' ' ' ARG . 4.2 mmm180 -45.27 -39.44 6.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.12 -41.49 15.66 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.3 mm-40 -85.85 -46.05 10.99 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.74 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -54.68 -49.62 70.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -57.6 -36.1 71.31 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.57 -43.64 98.32 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.317 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.55 92.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.57 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.36 87.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.95 -38.05 79.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.456 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.56 -42.42 92.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.9 t -77.61 61.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -65.07 -155.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 69.8 mm-40 -150.92 -42.94 0.12 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HG3' HH11 ' A' ' 53' ' ' ARG . 57.6 mtm-85 -58.09 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.251 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.8 m -62.57 135.96 57.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.738 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.495 HH21 HD13 ' A' ' 57' ' ' LEU . 16.5 ptm180 -174.18 141.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 56' ' ' LYS . 62.6 tttp -77.53 49.11 0.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 HD13 HH21 ' A' ' 55' ' ' ARG . 96.0 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.73 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.664 ' N ' HD22 ' B' ' 4' ' ' LEU . 25.3 t . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.417 0.151 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.509 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.521 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -77.22 -22.88 51.61 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.883 0.849 . . . . 0.0 110.287 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.664 HD22 ' N ' ' B' ' 1' ' ' SER . 1.6 mm? -84.95 -39.49 18.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.493 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.0 tptp -84.86 -25.58 27.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.521 HG21 ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -55.09 -48.23 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.579 0.704 . . . . 0.0 109.762 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.656 HD11 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -99.93 -11.85 20.3 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.258 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 64.4 m-80 66.85 29.81 8.15 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.537 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.8 m120 61.05 130.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.415 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.681 HG21 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -54.7 -26.35 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.696 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 34.1 ptt85 -62.4 -51.86 65.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.5 m -70.15 -36.8 74.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.782 ' HA ' HE21 ' B' ' 16' ' ' GLN . 9.2 tp -64.91 -55.02 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.93 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 33.9 tpt85 -44.93 -27.99 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.88 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.334 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.782 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.8 pt20 -63.88 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 0.0 109.86 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.678 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -86.25 -19.25 30.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.4 ttt180 -43.0 -27.15 0.17 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.341 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' B' ' 17' ' ' ALA . 11.8 pt-20 -112.62 44.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.406 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.2 p -166.55 -170.44 1.62 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.043 0.449 . . . . 0.0 111.717 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.633 HG21 ' H ' ' B' ' 22' ' ' LEU . 45.7 m -92.02 159.4 15.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.175 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.792 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -62.28 -13.78 31.96 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.609 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -39.61 -25.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.716 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.617 ' O ' ' HG2' ' B' ' 28' ' ' MET . 4.9 t -53.05 -41.65 65.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.945 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.822 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -66.76 -45.09 79.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.923 0.392 . . . . 0.0 110.285 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.738 ' N ' HD11 ' B' ' 25' ' ' LEU . 81.7 tt0 -56.47 -24.59 46.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.72 -57.37 3.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.937 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' B' ' 24' ' ' THR . 22.1 ptp -89.89 -44.84 9.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 32' ' ' LEU . 14.9 tp -58.8 -30.47 67.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.934 0.397 . . . . 0.0 110.192 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.842 ' HB2' HG23 ' A' ' 10' ' ' ILE . 40.5 tt0 -69.75 -33.41 72.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.827 ' HA ' HG21 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.01 -28.07 24.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.609 0.719 . . . . 0.0 109.712 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.776 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 14.2 tp -67.85 -25.76 65.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.088 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.705 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -86.08 -34.39 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.471 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.827 HG21 ' HA ' ' B' ' 31' ' ' LYS . 14.1 m -69.21 -36.99 75.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.608 ' N ' HG23 ' B' ' 34' ' ' VAL . 9.9 m -55.85 -46.05 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.695 ' O ' ' N ' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -80.19 -27.58 11.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.474 -0.491 . . . . 0.0 109.994 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.553 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.8 t-20 -46.66 -41.24 14.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.26 -46.5 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.122 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.74 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -70.89 -59.18 2.94 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.299 0.571 . . . . 0.0 111.57 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 36' ' ' VAL . 28.9 tpt85 -44.46 -38.49 4.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.051 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.86 -45.95 10.38 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 88.9 tt0 -79.43 -39.43 32.36 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.884 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.5 tm-20 -55.12 -48.31 73.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.076 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -57.13 -36.62 70.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -64.57 -41.54 96.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.306 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.02 99.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.536 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.32 97.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.586 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.96 92.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.901 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -58.51 -39.12 79.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.38 -45.47 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.688 ' HG2' ' H ' ' B' ' 52' ' ' GLU . 70.2 tt0 55.74 -137.3 1.13 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.688 ' H ' ' HG2' ' B' ' 51' ' ' GLU . 17.6 tp10 179.2 -42.84 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.748 0.309 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' B' ' 53' ' ' ARG . 8.8 mpt_? -60.39 -51.56 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.26 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.6 p -64.67 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.448 ' O ' HD13 ' B' ' 57' ' ' LEU . 38.6 ptt180 -173.52 35.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 23.3 tptm 72.25 -54.39 0.68 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.591 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.521 ' H ' HD13 ' B' ' 57' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.484 ' N ' HD23 ' A' ' 4' ' ' LEU . 53.9 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 5.4 tp10 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.54 -24.72 33.9 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.653 0.74 . . . . 0.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.692 HD12 HD21 ' B' ' 37' ' ' ASN . 1.9 mm? -84.27 -34.7 23.75 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.645 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 18.8 tptm -85.03 -29.31 25.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.42 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 4.4 tt -55.03 -45.8 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.349 0.595 . . . . 0.0 110.272 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -104.98 -8.56 18.49 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.736 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 72.9 m-80 63.54 35.8 11.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.816 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.625 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 61.37 127.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.198 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.79 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -59.75 -53.67 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.551 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -68.12 -33.72 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.733 HD21 HD13 ' B' ' 25' ' ' LEU . 5.7 tp -62.1 -59.61 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.492 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.77 ' HG2' HD22 ' B' ' 22' ' ' LEU . 79.1 mtp180 -43.46 -29.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.282 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 -49.86 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.993 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -67.42 -32.58 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.406 0.622 . . . . 0.0 110.259 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -86.33 -20.02 28.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.452 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 39.6 ttt85 -43.88 -28.01 0.4 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -108.38 40.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.599 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.9 m -164.29 -168.21 1.49 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.137 0.494 . . . . 0.0 111.57 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 22' ' ' LEU . 71.1 m -92.61 158.75 15.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.533 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.941 HD13 ' HA ' ' B' ' 14' ' ' ARG . 0.5 OUTLIER -58.23 -14.0 6.26 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -40.59 -25.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 110.63 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.0 t -52.13 -38.57 57.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.824 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.1 pp -70.97 -48.88 50.89 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.702 ' N ' HD11 ' A' ' 25' ' ' LEU . 12.6 pt-20 -55.8 -20.35 14.79 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.518 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.2 tt0 -82.99 -55.62 4.27 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.767 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 mmt -88.8 -45.37 9.81 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.636 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.795 HD11 HD22 ' B' ' 32' ' ' LEU . 19.6 tp -54.04 -38.93 65.73 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.624 ' HB2' ' CD1' ' B' ' 10' ' ' ILE . 33.4 tt0 -64.17 -33.64 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.36 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HA ' HG22 ' A' ' 34' ' ' VAL . 21.2 mmtp -86.08 -30.37 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.815 0.817 . . . . 0.0 109.625 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.903 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 24.3 tp -69.01 -24.51 64.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.934 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.883 ' HB3' HD23 ' B' ' 32' ' ' LEU . 14.5 pt-20 -86.19 -41.61 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.547 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 31' ' ' LYS . 21.6 m -63.86 -35.51 73.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.189 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.796 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 9.5 m -55.98 -50.39 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.15 -20.33 15.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.372 178.11 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.524 ' OD1' HD12 ' B' ' 4' ' ' LEU . 49.8 t30 -55.09 -40.95 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.92 -46.83 14.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.353 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.796 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -63.61 -51.81 63.63 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.1 mmm180 -50.94 -46.4 60.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.83 -36.82 73.07 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -82.32 -31.98 29.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.875 0.369 . . . . 0.0 111.805 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.058 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.9 mm-40 -67.64 -48.37 66.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -57.24 -31.98 66.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.614 ' O ' ' HG2' ' A' ' 49' ' ' GLU . . . -71.63 -45.67 61.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.769 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.42 96.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -36.01 73.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.505 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.44 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.076 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 24.9 pt-20 -80.25 -47.36 14.73 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 35.8 m 40.63 34.18 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.841 0.353 . . . . 0.0 111.344 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 177.83 134.65 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' A' ' 54' ' ' THR . 55.9 mt-10 -89.42 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 47.8 ttm-85 -75.1 32.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.485 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' GLU . 82.0 p -78.14 -50.56 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.048 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.98 137.0 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.495 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.58 -42.75 99.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.704 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.008 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.562 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 94.4 mt-10 -71.55 -28.08 63.62 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.718 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . . . -70.64 -25.06 62.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.88 0.848 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -84.14 -45.9 12.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.529 -179.384 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.626 ' HD3' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -83.21 -21.47 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.744 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.626 ' N ' ' HD3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -54.63 -61.54 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.749 HD11 HG23 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -81.33 -10.07 59.63 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.466 ' HA ' ' HA ' ' B' ' 5' ' ' LYS . 50.7 t30 60.25 36.9 20.74 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.685 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.7 m120 61.27 128.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.443 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.749 HG23 HD11 ' B' ' 7' ' ' LEU . 22.6 pt -59.05 -32.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.738 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.1 ptm180 -52.22 -50.04 62.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.5 m -79.99 -35.51 37.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.447 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.847 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.3 tt -63.85 -58.89 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.088 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.941 ' HA ' HD13 ' A' ' 22' ' ' LEU . 12.1 ptm180 -46.9 -29.71 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.59 0.234 . . . . 0.0 110.973 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.51 -50.21 10.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.847 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.6 pt20 -63.41 -35.61 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.787 0.803 . . . . 0.0 109.738 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.578 ' HB2' HD22 ' B' ' 13' ' ' LEU . . . -86.05 -20.87 28.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 55.4 ttt-85 -44.23 -30.74 0.84 Allowed 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.18 34.3 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.365 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 17' ' ' ALA . 54.8 m -162.48 -162.65 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.3 m -96.34 165.27 12.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.879 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -56.69 -14.58 3.41 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.628 0.251 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -39.49 -29.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.834 0.349 . . . . 0.0 110.57 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.722 HG21 HD21 ' B' ' 13' ' ' LEU . 4.6 t -52.46 -43.71 65.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.315 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.879 HD21 HD12 ' B' ' 22' ' ' LEU . 1.3 pp -68.7 -44.83 73.12 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.79 ' HG3' HG13 ' A' ' 10' ' ' ILE . 38.9 tt0 -55.25 -23.04 20.64 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 28.0 tt0 -82.03 -52.41 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.5 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.658 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 23.8 mmt -89.47 -47.4 8.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.872 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.747 HD11 HD22 ' A' ' 32' ' ' LEU . 28.4 tp -56.37 -41.64 76.55 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.07 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.672 ' HB2' HG23 ' A' ' 10' ' ' ILE . 34.7 tt0 -63.14 -32.95 74.46 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.487 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG23 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.48 -31.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.665 0.745 . . . . 0.0 109.466 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.903 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 11.0 tp -68.31 -25.53 65.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.008 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 32' ' ' LEU . 15.2 pt-20 -86.0 -46.34 10.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.165 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.76 HG23 ' HA ' ' B' ' 31' ' ' LYS . 28.0 m -62.49 -33.73 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.649 HG21 HG11 ' A' ' 36' ' ' VAL . 7.7 p -58.75 -46.05 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.609 ' HB ' ' HG2' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -79.73 -20.45 12.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 121.184 0.516 . . . . 0.0 109.716 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.692 HD21 HD12 ' A' ' 4' ' ' LEU . 36.8 t-20 -55.21 -38.61 68.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.71 -40.77 24.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.248 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.058 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -71.92 -54.18 10.82 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.609 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 24.4 mmm180 -45.05 -40.57 6.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.27 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 24.8 pt-20 -85.67 -39.79 16.87 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.497 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 39.5 tt0 -84.82 -47.11 10.7 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.822 ' HG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -54.51 -49.73 69.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -59.03 -35.71 73.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.31 -41.45 98.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.295 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.438 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -61.56 -42.11 98.36 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.579 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.37 78.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.291 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.82 -46.02 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.86 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 45' ' ' ALA . 16.5 pt-20 -65.77 -41.86 91.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.442 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 68.1 t 64.2 -81.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.995 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -77.78 -138.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -168.3 138.14 2.5 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -75.13 57.23 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.823 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -165.92 43.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.052 0.453 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' B' ' 55' ' ' ARG . 0.0 OUTLIER -66.68 -151.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.338 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.608 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 7.9 mtpm? -71.81 -139.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.473 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 54.9 mt-10 -74.18 -25.43 59.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.852 0.834 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.0 mm? -84.14 -44.36 14.08 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -80.49 -25.52 38.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.24 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.631 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 3.9 tt -56.02 -46.2 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.445 0.64 . . . . 0.0 109.96 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' B' ' 29' ' ' LEU . 0.1 OUTLIER -105.29 -15.12 15.13 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.919 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 64.87 33.61 9.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.7 m120 62.29 128.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.8 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -53.23 -27.29 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.369 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 36.6 ptt85 -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.2 m -80.9 -39.82 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 110.96 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.657 ' HA ' HE21 ' A' ' 16' ' ' GLN . 1.4 tm? -61.91 -50.24 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.635 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.887 ' HG3' HD21 ' B' ' 22' ' ' LEU . 45.7 ttt-85 -49.01 -37.6 20.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . . . -79.16 -49.61 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.657 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -62.88 -25.04 68.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 0.0 109.884 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 13' ' ' LEU . . . -85.29 -25.2 27.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.441 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 22.8 mmm180 -42.54 -32.96 0.61 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.547 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -80.11 24.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.607 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ALA . 49.2 m -164.82 -155.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.006 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -102.72 -172.61 2.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.012 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.831 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -72.79 -14.88 61.62 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.7 tt0 -40.25 -27.97 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.622 ' OG1' HD21 ' A' ' 13' ' ' LEU . 5.0 t -53.02 -40.4 63.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.494 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.831 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -66.17 -43.77 85.96 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.786 ' HG3' HG13 ' B' ' 10' ' ' ILE . 36.2 tt0 -56.12 -24.03 38.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 44.0 mm-40 -83.1 -54.58 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.914 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.1 mmt -89.6 -45.31 9.46 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.443 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' B' ' 7' ' ' LEU . 36.9 tp -58.02 -44.24 87.21 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.62 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 37.1 tt0 -59.2 -34.6 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.324 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.835 ' HA ' HG22 ' A' ' 34' ' ' VAL . 56.3 mmtt -86.22 -27.87 24.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.7 . . . . 0.0 109.728 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.931 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.9 tp -67.09 -25.81 66.4 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.685 ' HB3' HD23 ' B' ' 32' ' ' LEU . 1.7 pp20? -86.15 -39.0 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.874 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.835 HG22 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -67.3 -35.24 73.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.686 HG22 HG21 ' B' ' 36' ' ' VAL . 10.4 p -56.27 -38.04 53.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.724 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -86.06 -32.39 6.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.594 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 50.1 t30 -43.27 -40.8 3.64 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.19 -45.02 12.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.114 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.018 ' HD3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.15 -58.7 3.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.446 0.641 . . . . 0.0 111.451 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -42.27 -39.21 2.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.865 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -83.93 -46.47 12.06 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 tp10 -78.5 -40.58 34.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.169 0.509 . . . . 0.0 111.818 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.018 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 10.9 tp10 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.57 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -57.88 -37.38 73.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.61 -39.9 95.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.976 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . . . -62.65 -41.65 99.17 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 50' ' ' VAL . . . -67.06 -40.15 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.15 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.76 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.513 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 16.1 pt-20 -64.61 -26.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.398 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 47' ' ' ALA . 94.6 t -48.06 -44.58 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.422 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.69 141.72 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -167.71 -49.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 35.4 ttm180 -176.63 52.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.707 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 t -168.7 134.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.033 0.444 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.554 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -172.29 43.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.413 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 59.93 -137.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.549 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 -77.06 -35.94 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 6' ' ' ILE . . . -76.55 -27.43 55.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.234 1.016 . . . . 0.0 110.375 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -77.31 -45.16 27.11 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.261 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.653 ' HD2' ' C ' ' B' ' 5' ' ' LYS . 0.7 OUTLIER -78.86 -34.69 44.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.648 HG23 ' O ' ' B' ' 3' ' ' ALA . 3.6 tt -53.65 -41.13 45.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-O 122.293 1.044 . . . . 0.0 108.824 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.732 HD21 HG23 ' B' ' 10' ' ' ILE . 3.0 tt -87.94 -28.22 21.63 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.641 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 61.64 16.46 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.534 ' CA ' HD23 ' B' ' 7' ' ' LEU . 3.0 m120 64.02 130.41 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 113.618 -1.628 . . . . 0.0 112.08 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.786 HG13 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.01 -29.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.63 -179.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.465 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.2 ptm85 -55.52 -46.31 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -85.44 -37.67 19.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.295 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.673 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.0 tt -62.68 -55.45 26.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.462 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.816 ' HA ' HD12 ' A' ' 22' ' ' LEU . 38.1 ttt85 -47.16 -30.27 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.403 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.86 -50.5 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.19 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.673 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.4 pt20 -63.08 -33.74 76.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.47 0.652 . . . . 0.0 109.924 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' B' ' 13' ' ' LEU . . . -85.93 -23.6 26.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.358 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -44.21 -31.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.015 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -84.62 29.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.384 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.412 ' N ' ' O ' ' B' ' 17' ' ' ALA . 19.3 t -164.8 -156.2 0.3 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.777 0.322 . . . . 0.0 111.26 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.721 HG23 ' H ' ' B' ' 22' ' ' LEU . 27.9 m -101.31 166.07 10.94 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.887 HD21 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.24 -14.39 7.08 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.14 -26.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.491 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.659 HG22 HD23 ' B' ' 13' ' ' LEU . 4.7 t -52.57 -42.8 64.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.81 HD21 HD13 ' B' ' 22' ' ' LEU . 1.2 pp -68.66 -42.98 77.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.723 ' N ' HD12 ' B' ' 25' ' ' LEU . 65.6 tt0 -53.97 -26.36 25.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.5 tp10 -83.21 -52.28 6.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.081 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.3 -46.32 8.84 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.73 HD13 HD22 ' A' ' 32' ' ' LEU . 21.6 tp -56.63 -37.42 70.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.8 ' HB2' HG22 ' A' ' 10' ' ' ILE . 84.3 tt0 -68.86 -32.05 71.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 68.0 mmtt -87.55 -32.0 19.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.406 0.622 . . . . 0.0 110.537 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.931 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 23.5 tp -68.71 -24.43 64.48 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.674 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.43 -38.55 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.01 178.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.2 m -71.95 -38.24 63.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.67 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 7.3 p -56.21 -49.52 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.686 HG21 HG22 ' A' ' 35' ' ' VAL . 12.4 p -79.13 -19.85 12.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.133 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 25.8 t30 -56.24 -42.23 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -74.93 -44.12 50.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.793 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.749 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.79 -27.59 66.02 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.567 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.644 ' N ' ' O ' ' B' ' 36' ' ' VAL . 1.2 mmm180 -67.8 -52.94 31.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.247 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.07 -39.97 94.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.086 0.469 . . . . 0.0 110.102 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' B' ' 45' ' ' ALA . 57.3 mm-40 -78.56 -20.76 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.498 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.749 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 5.1 tm-20 -63.83 -49.46 72.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.93 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -69.05 -34.14 74.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.491 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' B' ' 42' ' ' GLU . . . -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.81 80.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.56 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.73 97.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.165 0.507 . . . . 0.0 109.664 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.65 -35.21 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.129 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 59.7 t -68.43 107.09 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.754 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 65.97 131.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.162 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 54' ' ' THR . 38.9 tt0 -177.47 148.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -60.93 76.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 111.588 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.428 ' H ' ' HD3' ' B' ' 55' ' ' ARG . 7.3 t -174.77 46.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.561 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.8 OUTLIER -77.74 40.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.532 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 53.44 43.71 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.007 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.135 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.509 ' HG2' ' NE ' ' B' ' 40' ' ' ARG . 12.2 pt-20 -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 6' ' ' ILE . . . -72.93 -24.35 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.905 0.859 . . . . 0.0 110.138 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -83.2 -43.11 16.5 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.25 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.641 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -84.07 -24.09 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.42 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG21 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.4 -53.0 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.685 HD11 HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -91.53 -11.51 37.17 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.631 178.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.32 35.77 17.92 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.612 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.9 m120 59.89 127.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.644 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.782 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.21 -29.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.417 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.7 ptm180 -60.56 -49.41 77.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -75.35 -38.71 59.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.669 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -62.73 -53.75 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.784 ' HA ' HD11 ' B' ' 22' ' ' LEU . 38.4 ttt85 -46.49 -32.06 3.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.34 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.54 -49.94 8.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.322 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.669 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.3 pt20 -64.57 -32.15 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 110.019 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB3' HD22 ' A' ' 13' ' ' LEU . . . -85.89 -24.25 26.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.233 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -42.66 -31.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -82.9 28.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.423 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' ALA . 22.4 t -167.55 -157.53 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.531 0.205 . . . . 0.0 110.959 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 p -98.38 -177.7 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.361 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.919 HD11 ' HA ' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -69.0 -14.56 63.11 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.019 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -40.32 -26.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.512 HG22 HD21 ' A' ' 13' ' ' LEU . 4.4 t -52.27 -43.28 64.31 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.846 HD23 HD13 ' A' ' 22' ' ' LEU . 1.1 pp -66.8 -45.62 77.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.797 ' HG3' HD12 ' B' ' 10' ' ' ILE . 17.9 tt0 -52.0 -26.94 11.83 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 83.6 tt0 -83.31 -53.87 5.42 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.4 mtt -88.57 -44.33 10.73 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.5 tp -54.26 -36.32 63.46 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.732 ' HB2' HD11 ' B' ' 10' ' ' ILE . 85.7 tt0 -68.5 -31.57 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.594 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.678 ' HA ' HG22 ' A' ' 34' ' ' VAL . 24.1 mmtp -86.2 -36.67 19.33 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.667 0.746 . . . . 0.0 109.965 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.997 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 26.0 tp -67.91 -22.07 65.1 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.821 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.724 ' HA ' HD13 ' B' ' 32' ' ' LEU . 12.0 pt-20 -86.18 -47.04 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.834 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 31' ' ' LYS . 34.9 m -61.31 -34.81 62.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.159 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG13 ' N ' ' A' ' 36' ' ' VAL . 13.4 p -56.52 -42.71 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.757 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.3 -36.97 30.85 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.469 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 35.1 t30 -42.68 -38.48 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -74.98 -41.66 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.985 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.924 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.28 -51.97 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.248 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.668 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 3.5 mmp_? -47.44 -37.54 11.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -86.72 -45.87 10.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 56.2 mt-10 -87.51 -44.63 11.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.691 ' HG3' ' NH1' ' B' ' 39' ' ' ARG . 5.0 tp10 -61.34 -46.64 89.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.807 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -56.96 -34.58 68.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -64.4 -44.0 92.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.072 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -60.0 -39.59 86.29 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.365 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.45 90.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.86 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.82 -48.29 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.338 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 31.5 m -66.27 -38.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.379 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.592 ' HG2' ' H ' ' A' ' 52' ' ' GLU . 74.7 tt0 59.47 -131.87 1.0 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.539 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 38.9 tt0 -178.76 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.064 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG3' HH11 ' A' ' 53' ' ' ARG . 39.1 ttt85 -50.62 -35.36 30.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.65 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 t -158.32 -35.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.629 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.7 mtm180 68.98 143.91 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.27 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' HZ2' ' HE2' ' B' ' 56' ' ' LYS . 17.6 tppt? 74.68 -42.33 0.49 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.676 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.6 tp . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.887 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.433 ' H ' ' HB2' ' B' ' 4' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 39.3 tt0 -83.03 -28.23 29.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.757 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -75.95 -23.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.777 0.799 . . . . 0.0 110.869 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.3 mp -85.73 -44.55 12.44 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.014 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.652 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.1 tmtt? -80.38 -24.46 39.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.451 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.545 ' CG2' ' H ' ' B' ' 7' ' ' LEU . 4.2 tt -53.2 -56.44 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-O 121.744 0.783 . . . . 0.0 109.397 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.662 HD12 HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -92.55 -6.02 50.48 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.52 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 59.11 35.96 23.95 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.499 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.7 m120 61.85 130.34 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.5 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.797 HD12 ' HG3' ' A' ' 26' ' ' GLU . 18.5 pt -55.9 -30.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.697 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.499 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -56.8 -51.04 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.94 0.4 . . . . 0.0 111.34 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.6 m -78.52 -37.97 41.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.272 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.679 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -62.97 -54.96 30.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.713 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.919 ' HA ' HD11 ' A' ' 22' ' ' LEU . 6.9 ptm180 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.07 -51.78 7.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.229 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.3 pt20 -63.16 -31.86 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 109.928 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' B' ' 13' ' ' LEU . . . -85.77 -24.43 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.218 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.6 tpm_? -48.47 -34.13 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.234 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -61.43 -36.38 80.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -104.74 -143.64 0.37 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.469 ' CG2' ' H ' ' B' ' 22' ' ' LEU . 7.4 m -109.84 178.26 4.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.805 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.48 -14.89 32.65 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.745 0.307 . . . . 0.0 110.219 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 17.5 tp10 -39.76 -28.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.53 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.505 ' OG1' ' HB1' ' B' ' 17' ' ' ALA . 75.1 m -51.45 -43.18 62.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.616 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.805 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 0.9 OUTLIER -65.06 -43.71 91.37 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.078 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.782 ' HG3' HG13 ' A' ' 10' ' ' ILE . 78.3 tt0 -56.76 -24.12 47.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' B' ' 23' ' ' GLU . 25.7 mt-10 -83.38 -53.96 5.33 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' B' ' 28' ' ' MET . 13.0 mmt -89.38 -45.19 9.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.858 HD12 HD23 ' A' ' 32' ' ' LEU . 27.9 tp -58.74 -42.03 87.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.029 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.627 ' HB2' HG21 ' A' ' 10' ' ' ILE . 84.8 tt0 -61.82 -31.57 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.07 0.462 . . . . 0.0 111.017 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.844 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.5 mmtp -87.49 -28.79 21.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.51 0.672 . . . . 0.0 109.628 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.997 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 39.5 tp -67.07 -24.53 65.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.922 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.905 ' HB3' HD21 ' A' ' 32' ' ' LEU . 4.3 pt-20 -85.12 -40.99 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.792 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.844 HG22 ' HA ' ' B' ' 31' ' ' LYS . 21.6 m -68.83 -35.25 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.327 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.667 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.5 p -59.7 -50.44 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.657 ' O ' ' N ' ' B' ' 40' ' ' ARG . 14.8 p -78.72 -19.61 13.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.957 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 41.8 t30 -58.38 -51.81 68.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 109.697 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.12 -42.39 94.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.147 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.725 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.83 -29.22 63.06 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.579 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' B' ' 36' ' ' VAL . 2.2 mmm180 -67.04 -41.01 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.188 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -79.36 -30.69 42.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.814 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 51.3 mt-10 -87.21 -39.43 15.47 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.924 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 23.8 mm-40 -66.29 -47.76 72.57 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.003 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.4 m -53.95 -30.46 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -74.59 -45.39 45.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.456 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.64 92.08 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.52 88.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' B' ' 50' ' ' VAL . 12.0 pt-20 -70.69 -47.21 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' B' ' 49' ' ' GLU . 41.7 t -81.07 62.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 110.627 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.44 -132.77 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.308 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -161.36 -28.65 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.713 0.292 . . . . 0.0 110.812 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.406 ' HG3' HH11 ' B' ' 53' ' ' ARG . 33.0 tpt85 -48.71 -37.7 19.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.732 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 82.1 p -133.15 -135.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -159.59 126.6 4.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.974 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.532 ' HE2' ' HZ2' ' A' ' 56' ' ' LYS . 63.6 tttm 70.86 -59.15 0.55 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 99.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.842 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.472 ' CA ' HD23 ' A' ' 4' ' ' LEU . 53.9 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.635 ' HA ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -72.88 -28.87 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.425 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' O ' HG21 ' A' ' 6' ' ' ILE . . . -76.27 -21.02 56.81 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.822 0.82 . . . . 0.0 109.783 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' HB3' HD22 ' A' ' 9' ' ' ASN . 2.4 mm? -85.56 -44.16 12.9 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.458 -1.247 . . . . 0.0 110.09 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.635 ' HG3' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -83.33 -20.0 35.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.578 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' CG2' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.96 -59.61 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -85.24 -10.16 56.89 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.179 -1.373 . . . . 0.0 107.3 177.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' LYS . 15.4 t-20 62.89 37.44 12.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.505 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.646 HD22 ' HB3' ' A' ' 4' ' ' LEU . 3.2 m120 60.29 125.47 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.382 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.686 HG21 HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.88 -34.42 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.09 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.2 ptm180 -57.06 -52.89 63.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.646 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 90.8 m -73.66 -38.4 64.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.4 tt -58.26 -56.45 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.271 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.731 ' HG2' HD22 ' B' ' 22' ' ' LEU . 78.5 mtp180 -44.24 -32.4 1.26 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.865 0.365 . . . . 0.0 110.624 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 -46.55 22.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 13' ' ' LEU . 33.0 mt-30 -63.46 -37.46 87.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.826 0.822 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -86.53 -18.84 30.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.682 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 79.9 ttt180 -42.2 -31.41 0.38 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.14 0.495 . . . . 0.0 110.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.77 42.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.443 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ALA . 44.0 t -172.84 172.7 4.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.424 HG21 ' H ' ' A' ' 22' ' ' LEU . 57.7 m -75.43 161.83 28.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.787 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.07 -13.69 5.26 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.397 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -39.82 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.577 HG23 HD11 ' A' ' 13' ' ' LEU . 98.1 m -51.37 -44.12 62.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' B' ' 25' ' ' LEU . 1.1 pp -66.15 -43.27 87.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.689 178.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.768 ' HG2' HD12 ' B' ' 10' ' ' ILE . 3.4 tm-20 -54.12 -27.56 34.0 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 tp10 -83.65 -53.61 5.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.429 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.615 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 23.9 mmt -88.43 -45.94 9.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 29' ' ' LEU . 61.2 tp -59.32 -25.96 64.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.873 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.731 ' HB2' HD11 ' B' ' 10' ' ' ILE . 39.4 tp10 -76.66 -31.06 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.031 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.743 ' HA ' HG21 ' A' ' 34' ' ' VAL . 49.6 mmtt -86.2 -31.75 21.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.686 0.755 . . . . 0.0 109.525 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.949 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 33.3 tp -69.41 -24.17 63.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.735 ' N ' HD23 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -85.4 -38.2 18.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG21 ' HA ' ' A' ' 31' ' ' LYS . 23.0 m -71.35 -36.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.147 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 36' ' ' VAL . 7.4 p -56.21 -48.84 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' N ' HG13 ' A' ' 35' ' ' VAL . 7.6 p -79.28 -27.92 13.25 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.683 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.603 ' ND2' HD13 ' B' ' 4' ' ' LEU . 33.1 t-20 -43.96 -43.79 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.47 -40.73 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.255 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.767 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -70.03 -56.87 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.19 178.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.72 HH21 HG12 ' B' ' 35' ' ' VAL . 19.6 mmt180 -44.9 -35.89 3.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.38 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -86.57 -53.51 4.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 34.0 mp0 -86.32 -40.79 15.11 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.121 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 4.4 tp10 -59.74 -47.55 85.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -54.79 -34.29 62.49 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.95 -41.52 82.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.111 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.458 ' HB2' ' OE1' ' A' ' 43' ' ' GLU . . . -63.82 -39.82 95.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.638 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . -62.15 -45.25 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.67 66.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.98 -46.91 85.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.679 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.1 p -64.71 -46.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.528 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' N ' HG13 ' A' ' 50' ' ' VAL . 24.7 pt-20 -73.43 135.25 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.289 . . . . 0.0 110.95 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.77 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' O ' ' OG1' ' A' ' 54' ' ' THR . 20.2 ttm105 -178.16 53.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 53' ' ' ARG . 46.8 p 59.77 132.41 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.626 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -69.78 -140.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.9 134.9 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.321 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 57' ' ' LEU . 3.5 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.059 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.955 ' HA ' HD23 ' B' ' 4' ' ' LEU . 52.3 m . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 40' ' ' ARG . 42.8 tp10 -83.37 -35.88 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.512 ' O ' HG23 ' B' ' 6' ' ' ILE . . . -79.98 -21.71 43.36 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.83 0.824 . . . . 0.0 110.338 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' B' ' 1' ' ' SER . 1.7 mm? -85.4 -39.92 17.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.749 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.595 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.2 tmtp? -82.58 -28.56 30.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.288 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.42 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.549 0.69 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.742 HD13 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -88.29 -13.09 41.71 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.992 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 61.04 34.36 19.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.507 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 61.15 126.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.774 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.768 HD12 ' HG2' ' A' ' 26' ' ' GLU . 8.0 pt -59.76 -32.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.201 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.507 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.7 ptp85 -57.06 -50.91 71.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.7 m -72.9 -32.64 65.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 110.556 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.826 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.7 tp -63.13 -59.54 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.293 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 13.2 mtp-105 -46.51 -25.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.703 0.287 . . . . 0.0 111.011 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.26 -51.57 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.041 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.826 HE21 ' HA ' ' B' ' 13' ' ' LEU . 27.3 pt20 -64.12 -35.3 80.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 0.0 109.726 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.719 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -85.82 -19.57 30.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 80.0 ttt180 -44.38 -29.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -101.85 36.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.458 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.415 ' N ' ' O ' ' B' ' 17' ' ' ALA . 68.8 m -165.58 -166.3 0.95 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.958 0.408 . . . . 0.0 111.464 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.464 HG22 ' H ' ' B' ' 23' ' ' GLU . 57.6 m -92.6 159.56 15.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.778 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.97 -13.04 21.65 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.283 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.464 ' H ' HG22 ' B' ' 21' ' ' THR . 42.9 tt0 -39.77 -24.69 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.807 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 22' ' ' LEU . 99.2 m -51.6 -40.33 59.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.822 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -67.33 -42.96 82.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.985 0.422 . . . . 0.0 109.88 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.723 ' N ' HD11 ' B' ' 25' ' ' LEU . 5.7 tm-20 -57.49 -24.17 54.33 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 19.6 tt0 -83.48 -57.73 3.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.159 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.7 mtt -89.75 -44.27 10.11 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 29' ' ' LEU . 55.7 tp -61.84 -28.4 69.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.644 ' HB2' HG23 ' A' ' 10' ' ' ILE . 83.9 tt0 -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.906 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.824 ' HA ' HG21 ' B' ' 34' ' ' VAL . 26.5 mmtp -86.59 -32.37 20.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.929 0.871 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.949 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 46.6 tp -63.7 -25.21 68.1 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.629 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.718 ' HB3' HD22 ' A' ' 32' ' ' LEU . 14.0 pt-20 -85.33 -38.53 18.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.577 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.824 HG21 ' HA ' ' B' ' 31' ' ' LYS . 15.3 m -65.69 -33.78 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.798 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 35.5 m -56.59 -45.57 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.688 ' N ' HG22 ' B' ' 35' ' ' VAL . 0.1 OUTLIER -83.51 -20.33 9.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.836 178.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.48 HD21 HD11 ' A' ' 4' ' ' LEU . 30.9 t-20 -57.5 -35.86 70.78 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -81.43 -40.17 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.716 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.121 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -77.4 -49.75 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.693 -179.573 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.664 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 21.7 mmm180 -44.7 -39.09 4.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 16.1 pt-20 -86.07 -45.28 11.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.32 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.7 tt0 -88.04 -46.81 9.02 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.767 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 7.6 tp10 -60.95 -45.93 92.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.099 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -55.32 -35.54 65.25 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.53 -41.8 92.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.725 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.37 91.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.83 92.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.83 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.42 93.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.799 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.02 -42.07 97.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -59.17 -52.68 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.287 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.65 127.67 33.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 53' ' ' ARG . 2.5 tm-20 179.77 48.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.969 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 52' ' ' GLU . 99.1 mtt180 72.87 -55.5 0.68 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.553 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -165.91 138.28 4.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.399 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' B' ' 55' ' ' ARG . 43.6 mtp85 -58.31 -51.01 71.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.146 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -176.23 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.815 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 65.7 mm-40 -71.82 -26.82 62.55 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.923 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.587 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -68.14 -26.2 65.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.907 0.86 . . . . 0.0 110.38 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -85.13 -46.87 10.7 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.742 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 49.7 tptt -80.32 -23.37 40.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.89 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.511 HD13 ' CA ' ' A' ' 32' ' ' LEU . 7.3 tt -54.88 -52.03 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-O 121.994 0.902 . . . . 0.0 110.148 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.723 HD12 HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.84 -10.37 21.85 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.052 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 4.5 m120 64.87 31.07 11.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.378 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.463 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 61.76 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.504 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.701 ' CG2' ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.12 -30.5 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.699 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -53.45 -44.83 69.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.416 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -88.09 -38.75 15.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.508 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.815 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.4 tt -66.19 -56.67 10.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.943 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.92 ' HG3' HD22 ' B' ' 22' ' ' LEU . 52.0 ttt-85 -45.47 -31.01 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.829 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.38 -52.88 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.815 HE21 ' HA ' ' A' ' 13' ' ' LEU . 27.9 pt20 -61.35 -34.87 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.378 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -86.6 -20.91 27.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.931 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 52.4 ttt-85 -51.0 -33.4 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.673 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.5 pt-20 -65.16 -33.69 76.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -98.03 -146.28 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.49 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.684 HG22 ' H ' ' A' ' 22' ' ' LEU . 29.9 m -109.25 165.58 11.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.797 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.91 -15.77 14.41 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.528 0.204 . . . . 0.0 110.478 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -41.06 -27.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 HG22 HD22 ' A' ' 13' ' ' LEU . 5.1 t -53.11 -43.1 66.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.17 178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.797 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.1 pp -66.45 -45.82 78.5 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.718 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.0 tm-20 -54.81 -26.79 37.26 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.0 tt0 -81.21 -53.61 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.935 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 13' ' ' LEU . 64.7 mtt -89.44 -47.08 8.24 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' A' ' 25' ' ' LEU . 19.2 tp -54.46 -41.35 69.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.844 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HB2' HG23 ' B' ' 10' ' ' ILE . 33.8 tt0 -61.49 -30.46 70.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.845 ' HA ' HG23 ' A' ' 34' ' ' VAL . 25.7 mmtp -86.52 -30.78 21.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.871 0.843 . . . . 0.0 109.465 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.972 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 26.3 tp -68.28 -24.81 64.91 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.308 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.852 ' HB3' HD22 ' B' ' 32' ' ' LEU . 19.5 pt-20 -86.3 -43.47 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.845 HG23 ' HA ' ' A' ' 31' ' ' LYS . 30.5 m -63.98 -34.03 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.487 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.826 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 6.7 m -55.94 -51.79 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -74.98 -20.52 16.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.469 178.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.669 ' ND2' HD23 ' B' ' 4' ' ' LEU . 29.2 t-20 -54.26 -38.45 65.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 57.1 mm-40 -82.71 -42.81 17.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.329 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.016 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.65 -54.23 14.89 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.712 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 2.9 mmp_? -46.15 -41.27 12.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -83.84 -36.46 23.44 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 38.3 tt0 -80.64 -43.7 20.04 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 111.626 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.087 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.1 mm-40 -57.39 -47.5 81.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -56.17 -34.45 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -69.02 -41.47 77.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.4 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.51 92.38 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.898 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' HG21 ' A' ' 50' ' ' VAL . . . -69.68 -42.57 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.322 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.815 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.47 -40.7 97.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.689 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 47' ' ' ALA . 30.7 m -76.87 40.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -175.23 131.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 178.14 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 54' ' ' THR . 76.5 ttt180 -176.96 50.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.459 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 53' ' ' ARG . 13.9 t 51.27 129.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -65.01 -49.4 70.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.294 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -174.54 -45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.99 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.609 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.6 tt0 -78.14 -23.2 47.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.643 ' HB1' ' HG3' ' A' ' 40' ' ' ARG . . . -86.56 -21.98 26.57 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.984 0.897 . . . . 0.0 109.939 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.669 HD23 ' ND2' ' A' ' 37' ' ' ASN . 1.1 mt -84.37 -42.42 15.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.079 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.678 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.0 tmtt? -84.75 -23.88 29.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.248 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.609 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -53.15 -53.3 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.618 HD13 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -93.59 -8.92 39.81 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.772 178.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 64.17 25.16 13.6 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.622 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.561 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 71.3 m-80 61.39 125.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.646 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.714 ' CG2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -46.67 -31.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.156 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.457 ' NH1' ' HB2' ' B' ' 11' ' ' ARG . 2.5 ptm85 -56.75 -50.18 73.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.948 0.404 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 92.6 m -79.67 -37.04 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.409 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' B' ' 17' ' ' ALA . 6.4 tt -61.45 -55.31 32.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.576 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.654 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 78.0 mtp180 -45.46 -34.09 3.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.69 -50.65 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.951 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.551 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 0.1 OUTLIER -66.35 -29.89 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.418 0.627 . . . . 0.0 110.309 -179.588 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.666 ' HB2' HD23 ' B' ' 13' ' ' LEU . . . -87.09 -24.08 24.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.281 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' B' ' 18' ' ' ARG . 1.8 tpm_? -42.19 -32.66 0.51 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.408 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.78 33.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.608 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 17' ' ' ALA . 50.2 m -163.37 -160.78 0.62 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.891 0.377 . . . . 0.0 111.578 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.545 HG22 ' N ' ' B' ' 22' ' ' LEU . 28.5 m -100.57 167.83 10.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.92 HD22 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.67 -15.15 10.51 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.623 0.249 . . . . 0.0 110.397 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' B' ' 27' ' ' GLU . 24.6 pt-20 -40.58 -27.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.346 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.596 HG21 HD22 ' B' ' 13' ' ' LEU . 4.7 t -51.64 -42.6 62.18 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.929 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.811 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -67.22 -45.96 75.24 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.724 ' N ' HD13 ' B' ' 25' ' ' LEU . 3.9 tm-20 -53.35 -25.49 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 4.9 mm-40 -81.87 -55.16 4.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.908 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.511 ' SD ' HD11 ' B' ' 13' ' ' LEU . 59.7 mtt -88.97 -46.16 9.1 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.089 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.763 HD12 HD21 ' A' ' 32' ' ' LEU . 53.8 tp -54.74 -32.98 60.55 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.54 ' HB2' HG23 ' A' ' 10' ' ' ILE . 85.5 tt0 -71.46 -32.5 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 111.213 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.713 ' HA ' HG21 ' B' ' 34' ' ' VAL . 25.4 mmtp -87.13 -33.67 19.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.901 0.858 . . . . 0.0 110.006 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.972 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 16.2 tp -67.17 -23.38 65.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.85 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.585 ' HA ' HD13 ' A' ' 32' ' ' LEU . 14.4 pt-20 -86.03 -44.43 12.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.576 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.713 HG21 ' HA ' ' B' ' 31' ' ' LYS . 29.4 m -60.41 -35.93 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.812 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 15.2 m -55.29 -51.05 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.587 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -76.07 -20.61 15.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.579 178.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.547 ' OD1' HD13 ' A' ' 4' ' ' LEU . 29.9 t30 -56.39 -36.96 69.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.572 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 55.9 mt-10 -83.55 -44.21 14.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.087 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.48 -50.96 40.41 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.722 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 2.9 mmp_? -47.08 -42.23 18.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.608 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 12.5 pt-20 -82.9 -37.36 24.35 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.1 mm-40 -77.27 -38.79 50.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.966 0.413 . . . . 0.0 111.53 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 1.016 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 12.6 mm-40 -59.11 -47.39 85.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -56.39 -33.93 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.95 -41.62 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.492 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -61.97 -40.44 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.834 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.393 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.16 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.875 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.531 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 15.8 pt-20 -64.61 -40.73 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.647 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.412 HG11 ' O ' ' B' ' 46' ' ' ALA . 34.7 m -77.02 43.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.691 0.281 . . . . 0.0 111.71 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -171.34 135.52 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.038 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -177.38 -50.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.552 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -177.62 41.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.703 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m 64.82 132.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.351 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -69.48 -140.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.3 -47.01 71.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.949 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.485 ' H ' HD21 ' A' ' 4' ' ' LEU . 46.9 t . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.9 tp10 -76.07 -35.76 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.766 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -77.87 -20.83 52.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.879 0.847 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -84.0 -43.37 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.779 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -84.79 -22.54 29.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.5 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 4.3 tt -54.43 -46.26 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.36 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD13 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.15 -10.77 16.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.3 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.05 33.46 14.66 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.2 m120 60.43 127.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.41 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.804 HG21 HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.89 -30.24 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.115 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 14.5 ptp180 -53.06 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -84.55 -36.0 22.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.528 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.819 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -64.81 -55.93 16.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.859 ' HA ' HD13 ' B' ' 22' ' ' LEU . 11.7 ptm180 -44.41 -34.43 2.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.528 0.204 . . . . 0.0 111.345 -178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.73 9.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.236 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.819 HE21 ' HA ' ' A' ' 13' ' ' LEU . 21.9 pt20 -60.72 -35.42 76.29 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.697 0.76 . . . . 0.0 109.505 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.604 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -86.43 -21.64 26.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.729 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 3.5 tmt_? -51.22 -32.02 22.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -62.6 -36.08 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.7 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -104.12 -144.54 0.37 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.506 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.716 HG23 ' H ' ' A' ' 22' ' ' LEU . 27.6 m -105.77 166.96 10.1 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.885 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -59.2 -14.6 11.24 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 89.1 tt0 -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.769 0.319 . . . . 0.0 110.461 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 25' ' ' LEU . 5.4 t -51.81 -42.78 62.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.059 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.34 -43.06 82.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.716 ' N ' HD11 ' A' ' 25' ' ' LEU . 36.0 tt0 -54.38 -25.31 23.69 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 4.5 mm-40 -83.29 -52.87 6.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.808 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.42 -46.65 8.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.217 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 25' ' ' LEU . 31.5 tp -56.67 -34.54 67.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.784 ' HB2' HG22 ' B' ' 10' ' ' ILE . 40.0 tt0 -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.0 111.566 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' A' ' 34' ' ' VAL . 28.7 mmtp -87.08 -28.63 22.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.641 0.734 . . . . 0.0 110.046 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.904 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 35.4 tp -69.85 -25.55 63.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.691 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.804 ' HA ' HD12 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.76 -32.44 23.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.515 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 31' ' ' LYS . 18.2 m -74.51 -38.43 46.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.678 HG21 HG12 ' B' ' 36' ' ' VAL . 22.4 m -54.38 -47.09 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.577 ' N ' HG21 ' A' ' 35' ' ' VAL . 11.8 p -85.4 -19.35 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.729 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 22.8 t30 -55.33 -38.6 68.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.15 -40.65 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.709 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.939 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.2 -53.18 18.18 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.753 179.525 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.584 HH21 HG12 ' B' ' 35' ' ' VAL . 9.0 mmt180 -45.04 -41.61 7.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.704 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -87.1 -44.56 11.44 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.571 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 43.4 tt0 -82.06 -40.86 21.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.956 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 10.2 tm-20 -56.89 -47.69 79.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -35.68 61.92 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 42' ' ' GLU . . . -66.44 -41.73 88.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.025 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.15 95.62 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.621 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -63.88 -47.23 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.71 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.93 75.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.521 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.18 -49.89 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.015 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.441 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 23.8 m -72.11 -43.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.292 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.73 134.66 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -177.2 -141.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.264 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 53' ' ' ARG . 51.1 ttt-85 -64.95 -41.0 95.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.79 0.329 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.4 p -152.93 137.8 17.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 141.04 45.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.777 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.578 ' NZ ' ' HB2' ' A' ' 56' ' ' LYS . 10.1 mtmp? -77.5 44.9 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.002 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 39.0 tt0 -71.78 -24.17 61.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.42 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.521 ' HA ' HG21 ' B' ' 6' ' ' ILE . . . -73.89 -24.21 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.219 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -83.44 -44.15 15.07 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.955 -179.317 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -82.24 -24.31 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.521 HG21 ' HA ' ' B' ' 3' ' ' ALA . 3.9 tt -54.36 -45.58 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-O 121.679 0.752 . . . . 0.0 109.407 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.581 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 0.2 OUTLIER -105.1 -13.75 15.63 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.228 179.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.93 32.58 8.44 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.836 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.465 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.4 m120 60.02 128.45 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.196 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.784 HG22 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -52.63 -29.12 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.757 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.45 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.0 ptp180 -55.58 -49.48 72.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 89.9 m -86.47 -38.22 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.704 HD12 HD21 ' A' ' 25' ' ' LEU . 1.5 tm? -61.24 -52.05 66.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.967 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.885 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.0 ttt-85 -48.63 -36.4 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.517 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' B' ' 18' ' ' ARG . . . -83.37 -48.64 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.66 HE21 HD23 ' B' ' 13' ' ' LEU . 14.6 pt20 -60.21 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.426 0.632 . . . . 0.0 109.924 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -85.24 -24.35 27.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.524 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.75 ' HG2' ' O ' ' B' ' 14' ' ' ARG . 2.4 mmm180 -42.91 -32.29 0.61 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.15 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -81.41 28.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.0 p -167.29 -156.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.484 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.597 HG23 ' N ' ' B' ' 22' ' ' LEU . 35.1 m -102.65 165.39 11.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.509 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.859 HD13 ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.66 -14.75 9.18 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.69 -26.29 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 110.494 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.563 ' OG1' HD22 ' B' ' 13' ' ' LEU . 5.7 t -52.75 -40.62 63.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.827 HD22 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -67.95 -42.3 81.14 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.727 ' N ' HD12 ' B' ' 25' ' ' LEU . 71.0 tt0 -57.42 -23.97 52.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 80.4 tt0 -84.23 -55.83 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.911 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.581 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 60.9 mtt -90.03 -45.34 9.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.663 HD21 HD11 ' A' ' 7' ' ' LEU . 50.8 tp -63.35 -23.28 67.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.692 ' HB2' HG23 ' A' ' 10' ' ' ILE . 30.6 tt0 -77.93 -33.91 51.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.036 0.446 . . . . 0.0 111.18 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.875 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.4 mmtp -86.37 -30.13 22.4 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.936 0.874 . . . . 0.0 109.237 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.904 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 37.2 tp -66.17 -24.95 66.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.76 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.745 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.6 pt-20 -85.58 -38.14 18.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.555 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.875 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.9 m -67.77 -34.89 70.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.155 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.614 HG21 ' N ' ' B' ' 36' ' ' VAL . 31.2 m -55.63 -42.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.678 HG12 HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -85.16 -26.57 6.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.229 178.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.469 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 38.3 t30 -47.81 -39.09 17.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.901 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 20.2 pt-20 -87.99 -45.14 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.474 177.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.956 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.32 -57.25 4.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 111.261 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.668 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.5 tpp180 -48.29 -32.77 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -85.78 -45.36 11.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.558 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 96.1 mt-10 -80.22 -38.84 30.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.096 0.474 . . . . 0.0 112.022 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.939 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 24.5 mm-40 -59.74 -46.3 89.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -54.66 -33.31 60.55 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -70.98 -44.41 66.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.514 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.12 87.24 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.34 86.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.126 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.86 -42.65 98.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.022 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.75 -51.69 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.255 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -66.55 137.21 56.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -173.51 -42.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.442 ' HG3' HH11 ' B' ' 53' ' ' ARG . 38.9 ttt85 -170.02 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.576 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.779 ' HB ' HH21 ' B' ' 55' ' ' ARG . 70.2 p -148.62 130.51 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.727 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.779 HH21 ' HB ' ' B' ' 54' ' ' THR . 0.0 OUTLIER -65.21 134.18 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.374 0.607 . . . . 0.0 111.84 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.458 ' HZ1' ' HE2' ' A' ' 56' ' ' LYS . 48.6 mtmt -69.81 143.8 52.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.648 HD11 ' H ' ' B' ' 57' ' ' LEU . 7.1 mp . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.575 ' N ' HD23 ' A' ' 4' ' ' LEU . 89.1 p . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.585 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.8 tt0 -82.59 -26.84 31.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.735 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -81.03 -27.8 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.567 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' HB3' HD22 ' A' ' 9' ' ' ASN . 2.2 mm? -82.73 -34.28 27.26 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.702 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.6 tmtt? -85.91 -27.68 24.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.972 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.628 HG23 ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -52.97 -46.34 53.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.462 0.648 . . . . 0.0 109.504 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.674 HD12 HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.26 -6.92 19.29 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.241 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.473 ' OD1' HG23 ' A' ' 12' ' ' THR . 11.7 t-20 60.57 31.48 20.24 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.466 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.634 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.6 m120 63.52 130.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.57 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.687 ' CG2' ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -23.36 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.206 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.606 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.4 ptp85 -56.82 -53.68 55.03 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 13.1 t -74.41 -30.25 61.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.462 . . . . 0.0 110.451 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.761 HD12 HG22 ' A' ' 24' ' ' THR . 6.7 tp -61.87 -53.66 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.89 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.536 HH12 ' HD3' ' A' ' 18' ' ' ARG . 29.6 tpt85 -47.79 -28.48 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.69 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.22 -51.4 5.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.536 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.613 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.7 pt20 -63.46 -33.75 76.24 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.438 0.637 . . . . 0.0 110.219 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' B' ' 22' ' ' LEU . . . -86.2 -20.48 28.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.412 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' HD3' HH12 ' A' ' 14' ' ' ARG . 11.7 tpt180 -44.26 -29.31 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.06 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -105.18 40.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.321 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -160.95 -146.23 0.13 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.666 0.27 . . . . 0.0 111.358 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 HD22 ' A' ' 22' ' ' LEU . 39.5 m -126.41 162.66 25.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.857 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -56.2 -15.01 3.18 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 120.624 0.249 . . . . 0.0 110.888 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -40.22 -27.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.761 HG22 HD12 ' A' ' 13' ' ' LEU . 5.5 t -56.55 -42.46 78.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.522 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.857 HD23 HD13 ' A' ' 22' ' ' LEU . 1.1 pp -67.04 -42.36 84.97 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 120.929 0.395 . . . . 0.0 110.045 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.697 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.31 -26.35 51.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.5 tt0 -83.95 -51.84 6.82 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.996 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.5 mmt -89.52 -48.55 7.24 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 62.0 tp -60.72 -25.68 66.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.444 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.671 ' HB2' HG21 ' B' ' 10' ' ' ILE . 3.3 tp10 -77.29 -32.76 55.67 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.974 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 27.2 mmtp -87.02 -31.45 20.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.703 0.763 . . . . 0.0 109.752 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.005 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 42.8 tp -67.07 -24.57 65.98 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.551 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -86.88 -42.25 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.953 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.0 m -65.27 -34.38 70.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.688 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 8.1 p -56.56 -50.41 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.671 ' N ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -73.67 -30.36 28.99 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.331 177.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 29.5 t30 -48.12 -41.19 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.62 -34.94 77.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.133 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.074 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -76.11 -46.72 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.492 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HD3' ' HB3' ' B' ' 2' ' ' GLU . 8.5 mmp_? -51.2 -37.1 44.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.58 -46.17 9.79 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.297 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -88.18 -45.13 10.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.937 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.1 tm-20 -53.81 -48.16 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -59.74 -36.74 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 49' ' ' GLU . . . -61.01 -42.09 97.8 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.175 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' B' ' 46' ' ' ALA . . . -60.75 -45.62 93.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.246 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.742 ' HA ' HG23 ' A' ' 50' ' ' VAL . . . -60.56 -38.52 84.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.88 88.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.326 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 13.8 mm-40 -66.12 -38.04 87.2 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.343 0.592 . . . . 0.0 109.84 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 47' ' ' ALA . 85.5 t -48.82 -38.99 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.583 ' HG3' HG13 ' A' ' 50' ' ' VAL . 95.4 mt-10 -146.42 137.94 24.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -146.78 44.61 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.256 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 55.3 39.3 31.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.0 p -152.65 133.23 13.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -69.02 132.35 46.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 22.8 tptm -175.99 46.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 0.0 110.443 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.769 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.61 ' N ' HD23 ' B' ' 4' ' ' LEU . 88.6 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.61 0.243 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.687 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 89.1 tt0 -79.77 -27.94 40.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.567 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 33' ' ' GLU . . . -80.02 -28.27 39.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.743 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.61 HD23 ' N ' ' B' ' 1' ' ' SER . 2.2 mm? -84.14 -35.77 23.38 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.9 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -81.02 -30.75 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.413 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.566 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 3.1 tt -54.65 -41.29 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 121.8 0.81 . . . . 0.0 109.646 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.633 HD11 HG22 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -104.21 -19.27 14.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.092 -1.413 . . . . 0.0 110.061 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 64.92 30.09 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.606 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.3 m120 62.44 127.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.511 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.696 HG13 ' HG2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -56.8 -27.79 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.453 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.4 ptm180 -55.48 -52.1 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 97.3 m -73.57 -33.63 64.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' B' ' 17' ' ' ALA . 5.4 tp -62.15 -59.23 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.386 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.855 ' HG3' HD21 ' A' ' 22' ' ' LEU . 35.0 ttt-85 -46.02 -25.73 0.61 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.29 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.05 -50.48 6.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.944 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.565 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.8 pt20 -64.34 -34.93 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.063 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.657 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -86.44 -19.84 29.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.378 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -42.49 -30.15 0.33 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -105.6 42.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.307 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' ' 17' ' ' ALA . 79.8 p -169.27 -171.17 1.22 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 111.525 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.574 HG21 ' H ' ' B' ' 23' ' ' GLU . 55.9 m -86.77 155.89 20.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.802 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -63.16 -13.24 34.71 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.539 179.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.574 ' H ' HG21 ' B' ' 21' ' ' THR . 12.5 pt-20 -39.26 -24.89 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.938 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.496 ' N ' ' O ' ' B' ' 22' ' ' LEU . 93.8 m -50.55 -41.24 53.83 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 25' ' ' LEU . 1.1 pp -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.046 0.451 . . . . 0.0 109.946 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.739 ' N ' HD13 ' B' ' 25' ' ' LEU . 28.3 tt0 -55.61 -24.9 35.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 34.6 tt0 -83.71 -53.78 5.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.931 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.8 mtt -89.75 -46.03 8.88 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' B' ' 25' ' ' LEU . 59.9 tp -58.21 -36.77 73.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.683 ' HB2' HG22 ' A' ' 10' ' ' ILE . 83.0 tt0 -67.55 -34.56 77.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.562 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 59.0 mmtt -86.82 -29.5 22.21 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 121.811 0.815 . . . . 0.0 109.628 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 1.005 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 46.5 tp -68.64 -24.35 64.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.505 -1.225 . . . . 0.0 109.894 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.66 ' N ' HD22 ' A' ' 32' ' ' LEU . 12.9 pt-20 -85.93 -43.71 12.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.0 m -64.69 -34.27 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.84 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.667 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 14.9 p -56.46 -49.84 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.656 ' H ' HG11 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -74.29 -35.56 40.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.054 177.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 28.0 t30 -42.88 -41.07 3.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -69.22 -40.18 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.937 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -74.53 -47.7 31.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.598 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -47.68 -39.52 17.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -87.46 -44.33 11.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.618 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 66.9 mm-40 -87.14 -45.19 10.91 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 1.074 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -53.21 -50.14 65.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -58.54 -37.27 75.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -61.31 -41.37 96.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.379 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -65.18 -47.99 75.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.617 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' B' ' 50' ' ' VAL . . . -58.62 -39.14 79.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.31 90.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 46' ' ' ALA . 16.8 pt-20 -72.75 -26.56 61.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' B' ' 47' ' ' ALA . 70.1 t -52.67 -38.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.486 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.52 143.67 8.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.432 . . . . 0.0 111.339 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.428 ' OE2' ' HA ' ' B' ' 49' ' ' GLU . 38.5 mp0 -138.51 -150.33 0.33 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.04 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -86.12 42.95 1.02 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 110.683 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 64.1 p -150.83 141.65 22.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.2 OUTLIER -66.32 -132.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.998 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 56' ' ' LYS . 87.4 tttt 62.25 52.23 3.22 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.159 0.504 . . . . 0.0 110.632 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.1 tp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.788 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 37.8 tt0 -73.97 -28.89 61.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' HB1' ' HB ' ' B' ' 36' ' ' VAL . . . -75.48 -20.92 58.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.991 0.901 . . . . 0.0 110.068 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -84.64 -46.2 11.74 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.794 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.3 -24.14 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.794 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 3.6 tt -54.3 -45.94 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 121.628 0.727 . . . . 0.0 109.275 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.863 HD12 HG23 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -105.11 -9.76 17.58 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.471 -1.24 . . . . 0.0 108.988 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.9 35.4 16.38 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.529 ' C ' HD11 ' A' ' 7' ' ' LEU . 2.3 m120 59.46 127.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.863 HG23 HD12 ' A' ' 7' ' ' LEU . 24.5 pt -53.14 -23.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.884 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -63.8 -51.32 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 95.8 m -73.84 -38.52 64.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.757 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -63.37 -50.27 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.6 tpt180 -44.27 -35.06 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 -47.61 10.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.352 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.757 HE21 ' HA ' ' A' ' 13' ' ' LEU . 19.5 pt20 -63.85 -34.72 78.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 109.801 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.669 ' HB2' HD22 ' A' ' 13' ' ' LEU . . . -86.38 -21.35 27.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -45.33 -30.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.962 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -90.3 32.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.478 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ALA . 83.8 p -165.59 -159.56 0.42 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 111.306 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -101.39 -174.25 2.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.585 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -70.76 -14.57 62.48 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.912 179.575 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB3' HH12 ' B' ' 14' ' ' ARG . 2.1 pp20? -40.43 -27.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.557 HG21 HD21 ' A' ' 13' ' ' LEU . 4.9 t -55.59 -42.07 74.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.848 HD22 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.27 -42.28 84.12 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.713 ' N ' HD12 ' A' ' 25' ' ' LEU . 27.3 tt0 -54.55 -26.62 33.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.2 tt0 -83.54 -49.99 8.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.047 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.26 -47.85 7.77 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 HD21 ' B' ' 32' ' ' LEU . 34.5 tp -56.42 -38.95 72.25 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.78 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.805 ' HB2' HG21 ' B' ' 10' ' ' ILE . 33.9 tt0 -65.6 -34.97 79.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.647 ' HA ' HG22 ' A' ' 34' ' ' VAL . 29.4 mmtp -86.64 -26.81 24.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.594 0.711 . . . . 0.0 110.26 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.872 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 14.3 tp -70.43 -26.22 63.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.483 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.603 ' HB3' HD23 ' B' ' 32' ' ' LEU . 13.5 pt-20 -84.58 -34.39 23.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.62 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.5 m -72.99 -38.95 57.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.293 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.726 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 16.4 m -54.15 -46.36 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.696 HG22 HG22 ' B' ' 35' ' ' VAL . 5.6 p -86.45 -18.77 8.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.767 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.706 ' ND2' HD12 ' B' ' 4' ' ' LEU . 29.5 t-20 -55.54 -42.88 75.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.631 ' HG3' ' HE ' ' A' ' 39' ' ' ARG . 10.3 pt-20 -73.91 -39.15 64.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.168 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.83 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.66 -54.76 12.36 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 121.704 0.764 . . . . 0.0 109.776 178.406 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' VAL . 7.2 mmm180 -43.49 -40.47 3.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.801 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -83.98 -47.22 11.22 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 50.5 mt-10 -82.82 -42.02 18.37 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 112.092 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.896 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 23.7 tp10 -56.04 -48.47 75.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.0 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -55.5 -35.49 65.64 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.86 -40.99 83.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.515 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . . . -61.76 -41.38 97.6 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.85 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.485 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.79 -45.22 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.909 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 16.1 pt-20 -63.79 -37.48 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.584 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.502 HG21 ' C ' ' A' ' 49' ' ' GLU . 46.4 t -142.13 75.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 93.8 mt-10 -60.18 -53.4 58.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 tm-20 178.22 -53.19 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.472 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.4 ttt85 -78.41 -44.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.415 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 50' ' ' VAL . 8.7 t -58.5 141.23 52.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.727 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -151.68 -136.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.54 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HZ2' ' HE3' ' B' ' 56' ' ' LYS . 49.5 mtmt -62.97 -49.96 72.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.709 0.29 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.753 179.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.504 ' N ' HD21 ' B' ' 4' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.9 0.381 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.611 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 -75.37 -29.44 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.122 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.496 ' HA ' HG21 ' B' ' 6' ' ' ILE . . . -78.08 -26.88 48.36 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.749 0.785 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.706 HD12 ' ND2' ' A' ' 37' ' ' ASN . 1.8 mm? -84.2 -38.13 20.98 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.661 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.531 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.3 tptp -83.77 -28.22 28.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.517 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.611 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 5.4 tt -55.56 -46.31 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.602 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' CD2' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.85 -13.18 15.6 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.202 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.531 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 73.1 m-80 66.73 32.5 6.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.06 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.507 ' C ' HD13 ' B' ' 7' ' ' LEU . 2.8 m120 59.61 126.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.452 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.805 HG21 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -51.68 -26.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.888 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.4 ptm85 -58.65 -52.68 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 99.3 m -86.32 -33.91 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.214 0.53 . . . . 0.0 110.73 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.62 ' HA ' HE21 ' B' ' 16' ' ' GLN . 2.1 tm? -61.07 -51.53 68.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.646 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.847 ' HA ' HD13 ' A' ' 22' ' ' LEU . 33.8 ttt85 -52.12 -34.46 44.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.22 -49.59 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.405 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.62 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -62.93 -32.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 109.792 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' B' ' 13' ' ' LEU . . . -86.22 -24.1 26.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.044 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 12.1 tpt180 -49.48 -34.36 16.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.722 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 16' ' ' GLN . 12.5 pt-20 -61.4 -34.87 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.2 m -103.76 -142.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.422 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.429 HG22 ' H ' ' B' ' 22' ' ' LEU . 16.2 m -113.91 174.23 6.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.142 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.791 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.68 -15.05 10.08 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 24.5 pt-20 -41.44 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 110.182 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.493 ' CG2' HD21 ' B' ' 13' ' ' LEU . 99.8 m -55.32 -41.28 72.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.074 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.06 -47.18 69.04 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.378 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.721 ' N ' HD12 ' B' ' 25' ' ' LEU . 24.0 pt-20 -56.05 -23.53 33.97 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.342 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 44.6 tt0 -83.42 -51.67 7.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.755 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.6 mmt -89.21 -49.02 6.99 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.018 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.664 HD12 HD22 ' A' ' 32' ' ' LEU . 19.4 tp -51.95 -41.54 62.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.388 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.649 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 42.9 tt0 -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.771 ' HA ' HG23 ' B' ' 34' ' ' VAL . 8.5 mmpt? -83.69 -31.64 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.894 0.854 . . . . 0.0 109.481 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.872 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 24.9 tp -71.17 -24.89 62.33 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.103 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.639 ' N ' HD21 ' A' ' 32' ' ' LEU . 15.1 pt-20 -85.83 -43.35 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.771 HG23 ' HA ' ' B' ' 31' ' ' LYS . 35.1 m -63.13 -35.82 73.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.074 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.696 HG22 HG22 ' A' ' 36' ' ' VAL . 12.5 p -55.54 -42.72 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -86.36 -20.15 7.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 177.513 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.555 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 29.8 t-20 -53.47 -38.66 63.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.874 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -84.44 -39.92 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.8 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.896 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.65 -53.64 11.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.758 179.158 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.8 mmm180 -46.37 -39.1 9.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.756 0.312 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -83.97 -46.21 12.31 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.6 mp0 -85.88 -42.95 13.66 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.83 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.21 -48.32 79.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.056 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.95 -34.67 68.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.94 -41.66 97.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.046 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.63 95.53 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.319 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.8 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.405 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.06 77.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.981 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' VAL . 36.6 tt0 -56.04 -47.37 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.492 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.501 HG13 ' O ' ' B' ' 49' ' ' GLU . 27.7 m -153.0 120.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -87.25 -48.34 8.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.578 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' B' ' 53' ' ' ARG . 11.7 pt-20 -175.66 -48.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' B' ' 52' ' ' GLU . 40.2 ttm180 -77.87 -43.48 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 89.2 m -57.34 137.75 55.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' B' ' 56' ' ' LYS . 15.5 ptm180 -172.08 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.606 ' HE3' ' HZ2' ' A' ' 56' ' ' LYS . 14.6 ptmm? -172.66 137.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.853 -179.728 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.909 ' HA ' HD21 ' A' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.6 tp10 -83.33 -34.51 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.354 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.496 ' C ' HG21 ' A' ' 6' ' ' ILE . . . -79.87 -23.91 41.6 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.897 0.856 . . . . 0.0 110.449 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.909 HD21 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -85.1 -39.11 18.31 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.657 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.646 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -85.15 -27.5 26.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -53.72 -52.58 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.434 0.635 . . . . 0.0 109.41 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -95.19 -8.28 36.69 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.944 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.497 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.12 34.19 16.49 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.776 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.6 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.9 m120 60.64 126.52 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.822 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.84 -32.38 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.615 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -59.58 -50.54 73.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.195 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 91.6 m -74.27 -37.37 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.392 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -60.64 -57.44 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.786 ' HA ' HD12 ' B' ' 22' ' ' LEU . 79.7 mtp180 -47.04 -31.62 3.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -76.32 -47.65 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.823 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.718 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.0 pt20 -70.97 -31.78 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.487 0.661 . . . . 0.0 110.178 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.541 ' HB3' HD21 ' A' ' 13' ' ' LEU . . . -86.98 -20.8 26.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.194 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.1 ptt85 -43.52 -34.34 1.34 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 87.5 tt0 -88.45 36.34 0.79 Allowed 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.763 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ALA . 35.5 t -170.15 -177.47 2.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 22' ' ' LEU . 24.2 m -86.6 169.69 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.731 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.784 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.98 -14.6 9.77 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 120.691 0.281 . . . . 0.0 110.27 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' OE1' ' HB3' ' A' ' 26' ' ' GLU . 5.1 tp10 -40.08 -27.14 0.04 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.612 HG21 HD23 ' A' ' 13' ' ' LEU . 5.2 t -52.8 -42.81 65.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.281 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -65.66 -47.5 75.3 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.416 178.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.808 ' HG3' HG13 ' B' ' 10' ' ' ILE . 23.3 tt0 -54.25 -25.66 24.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.985 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.594 ' HG2' ' HE3' ' A' ' 28' ' ' MET . 39.4 tt0 -80.3 -53.53 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.791 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.594 ' HE3' ' HG2' ' A' ' 27' ' ' GLU . 11.2 mmt -89.77 -46.94 8.24 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.022 0.439 . . . . 0.0 112.087 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.687 HD13 HD23 ' B' ' 32' ' ' LEU . 56.5 tp -54.24 -43.48 70.92 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.961 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.59 ' HB2' HG22 ' B' ' 10' ' ' ILE . 38.5 tt0 -60.87 -30.22 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.041 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.828 ' HA ' HG21 ' A' ' 34' ' ' VAL . 25.0 mmtp -86.64 -29.02 22.85 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.779 0.8 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.759 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.2 tp -68.88 -26.14 64.97 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.785 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.673 ' HB3' HD22 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.74 -36.73 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.633 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.828 HG21 ' HA ' ' A' ' 31' ' ' LYS . 19.9 m -68.45 -37.74 78.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.209 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.585 ' N ' HG23 ' A' ' 34' ' ' VAL . 15.0 m -55.24 -52.96 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.916 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 7.4 p -77.7 -18.83 13.98 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.638 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 42.6 t30 -58.17 -43.65 87.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.384 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.797 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -74.73 -47.3 32.09 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 121.33 0.586 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 2.5 mmm180 -45.05 -41.29 7.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.885 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -86.63 -44.04 12.18 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 56.3 mt-10 -86.11 -44.14 12.49 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.84 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 11.1 tm-20 -57.84 -48.37 79.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.162 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.29 -33.0 65.11 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -66.98 -43.97 81.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.398 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.63 93.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.97 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.36 -41.44 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.301 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.28 78.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.316 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 11.3 pt-20 -68.91 -52.46 29.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 11.4 p 35.41 41.01 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.747 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.6 146.51 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -160.6 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 53' ' ' ARG . 52.6 ttt-85 -173.35 -49.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.439 ' CG2' ' H ' ' A' ' 55' ' ' ARG . 4.5 m -72.06 -132.02 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 52.55 44.29 30.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 179.821 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -173.34 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD21 ' N ' ' A' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.9 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.92 ' HA ' HD21 ' B' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 -83.29 -34.55 25.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.32 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.497 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -79.71 -24.05 41.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.837 0.827 . . . . 0.0 110.46 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' B' ' 1' ' ' SER . 1.3 mm? -85.17 -39.09 18.25 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.63 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.66 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.8 tmtt? -85.13 -27.62 26.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.084 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -53.62 -52.56 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 CA-C-O 121.465 0.65 . . . . 0.0 109.487 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.619 HD11 HG23 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -95.36 -8.02 36.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.885 178.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HB ' ' B' ' 12' ' ' THR . 5.6 m120 62.01 34.23 16.76 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.802 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.578 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.9 m120 60.45 126.62 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.808 HG13 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -51.86 -32.37 14.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.56 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -59.57 -50.61 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' B' ' 8' ' ' ASN . 91.0 m -74.18 -37.45 63.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.722 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.61 -57.4 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.295 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.783 ' HA ' HD12 ' A' ' 22' ' ' LEU . 79.5 mtp180 -47.05 -31.65 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -76.36 -47.47 23.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.907 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.722 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -71.17 -31.62 67.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.421 0.629 . . . . 0.0 110.104 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.525 ' HB3' HD21 ' B' ' 13' ' ' LEU . . . -87.02 -20.94 26.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.163 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' B' ' 15' ' ' ALA . 30.0 ptt85 -43.32 -34.49 1.24 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.262 0.553 . . . . 0.0 109.536 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 19' ' ' GLU . 87.4 tt0 -88.37 36.32 0.78 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.693 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 17' ' ' ALA . 35.4 t -170.14 -177.44 2.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.957 0.408 . . . . 0.0 111.393 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.488 HG23 ' H ' ' B' ' 22' ' ' LEU . 23.9 m -86.54 169.72 12.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.789 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.04 -14.5 9.84 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.711 0.291 . . . . 0.0 110.352 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.502 ' OE1' ' HB3' ' B' ' 26' ' ' GLU . 5.1 tp10 -40.08 -27.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.613 HG21 HD23 ' B' ' 13' ' ' LEU . 5.2 t -52.74 -42.81 65.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.244 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -65.71 -47.5 75.15 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.343 178.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.822 ' HG3' HG13 ' A' ' 10' ' ' ILE . 23.3 tt0 -54.23 -25.65 24.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.572 -0.851 . . . . 0.0 108.881 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 tt0 -80.26 -53.69 6.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.757 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.568 ' HE3' ' HG2' ' B' ' 27' ' ' GLU . 11.4 mmt -89.64 -47.06 8.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.975 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.696 HD13 HD23 ' A' ' 32' ' ' LEU . 56.2 tp -54.14 -43.44 70.53 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.595 ' HB2' HG22 ' A' ' 10' ' ' ILE . 38.4 tt0 -61.03 -30.12 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.843 ' HA ' HG21 ' B' ' 34' ' ' VAL . 24.9 mmtp -86.58 -29.03 22.92 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.787 0.803 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.759 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 16.2 tp -68.93 -26.18 64.94 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.701 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.672 ' HB3' HD22 ' A' ' 32' ' ' LEU . 1.7 pp20? -84.7 -36.71 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.656 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.843 HG21 ' HA ' ' B' ' 31' ' ' LYS . 20.1 m -68.52 -37.72 78.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.59 ' N ' HG23 ' B' ' 34' ' ' VAL . 15.1 m -55.32 -52.78 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.916 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.4 p -77.8 -18.93 13.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.082 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.534 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 42.8 t30 -58.03 -43.69 86.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.594 0.711 . . . . 0.0 109.263 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -69.68 -41.62 75.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.483 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.84 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.7 -47.42 31.6 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.967 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' B' ' 36' ' ' VAL . 2.6 mmm180 -44.94 -41.44 7.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -86.6 -44.01 12.22 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 56.3 mt-10 -86.06 -44.14 12.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.797 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 11.1 tm-20 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.118 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.2 -33.12 65.01 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -66.84 -44.09 81.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.432 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.51 93.91 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.38 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.351 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.362 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' B' ' 50' ' ' VAL . 11.3 pt-20 -68.86 -52.47 29.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.457 ' N ' ' HG3' ' B' ' 49' ' ' GLU . 11.4 p 35.56 40.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.705 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.55 146.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -160.72 -45.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 53' ' ' ARG . 52.4 ttt-85 -173.39 -49.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.469 ' CG2' ' H ' ' B' ' 55' ' ' ARG . 4.5 m -71.98 -131.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.58 ' HD2' ' N ' ' B' ' 55' ' ' ARG . 0.2 OUTLIER 52.29 44.52 29.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -173.34 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.493 HD21 ' N ' ' B' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.9 tt0 -70.44 -20.69 62.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.747 ' HB1' ' HB ' ' B' ' 36' ' ' VAL . . . -74.18 -21.68 59.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.837 0.827 . . . . 0.0 110.136 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 4' ' ' LEU . 1.5 mp -84.35 -45.65 12.56 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.524 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 26.1 tptp -80.71 -23.16 39.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.748 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.604 HD13 ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.0 -48.59 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.663 0.744 . . . . 0.0 109.9 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.548 ' HG ' ' H ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -103.37 -10.98 18.19 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.392 -1.277 . . . . 0.0 109.361 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.524 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 63.4 m-80 67.18 25.35 9.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.55 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.548 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 3.2 m120 64.91 132.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.206 0.527 . . . . 0.0 111.834 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.735 HG22 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -57.32 -19.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.838 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 12' ' ' THR . 16.2 ptp180 -59.2 -56.84 16.96 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.633 0.254 . . . . 0.0 111.583 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 8.8 t -85.36 -29.8 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.233 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD22 ' HG1' ' A' ' 24' ' ' THR . 1.7 tm? -60.7 -46.91 88.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.0 tpt180 -51.45 -35.99 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.442 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.44 -47.04 9.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.618 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 15.6 pt20 -62.67 -34.24 76.7 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.45 0.643 . . . . 0.0 109.961 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 13' ' ' LEU . . . -86.05 -23.41 26.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.167 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.9 tpt180 -47.99 -32.2 6.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.915 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -83.51 26.63 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.383 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -162.43 -154.17 0.3 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.778 0.323 . . . . 0.0 111.264 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.2 p -102.09 174.38 5.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.792 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -68.61 -15.47 63.54 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.114 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.2 tt0 -41.12 -26.74 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.404 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.663 ' HG1' HD22 ' A' ' 13' ' ' LEU . 4.9 t -53.26 -42.22 66.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.085 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.45 -44.68 82.15 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.363 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.716 ' N ' HD13 ' A' ' 25' ' ' LEU . 36.3 tt0 -53.82 -26.31 23.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 65.8 mm-40 -82.71 -54.19 5.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' THR . 19.8 ptp -89.64 -45.87 9.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 40.4 tp -53.3 -41.87 66.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.883 0.373 . . . . 0.0 110.161 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' O ' HG11 ' A' ' 34' ' ' VAL . 85.8 tt0 -62.91 -33.66 75.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.639 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.844 ' HA ' HG21 ' A' ' 34' ' ' VAL . 24.8 mmtp -86.46 -28.97 23.16 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.804 0.811 . . . . 0.0 109.542 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.992 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 26.9 tp -68.37 -24.12 64.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.346 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.855 ' HB3' HD22 ' B' ' 32' ' ' LEU . 13.0 pt-20 -86.13 -42.5 13.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.844 HG21 ' HA ' ' A' ' 31' ' ' LYS . 20.5 m -60.18 -36.37 67.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 32' ' ' LEU . 14.0 m -56.42 -48.87 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.758 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.6 -19.66 14.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.375 177.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' OD1' HD12 ' B' ' 4' ' ' LEU . 34.6 t30 -58.18 -37.49 74.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.62 -43.66 15.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.129 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.049 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.86 -48.52 65.91 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.744 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.568 HH11 ' HE ' ' B' ' 39' ' ' ARG . 22.4 mmm180 -53.52 -44.0 68.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.86 -35.14 51.35 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 41.1 tp10 -80.19 -36.29 35.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.353 . . . . 0.0 111.394 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.995 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 16.2 mm-40 -59.56 -49.44 77.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -58.15 -32.73 68.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -70.13 -39.74 75.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.537 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.673 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.36 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.947 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.79 27.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.262 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -63.95 -42.29 97.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.777 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.76 101.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.547 0.689 . . . . 0.0 110.798 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.5 -137.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.261 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 37.8 tt0 66.0 127.16 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.087 0 CA-C-O 120.63 0.252 . . . . 0.0 111.033 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 6.0 tpm_? 72.83 -52.17 0.71 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.737 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.1 t -68.02 -52.02 40.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.648 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 54' ' ' THR . 72.5 mtp180 -155.74 -146.62 0.18 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.912 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' A' ' 55' ' ' ARG . 4.2 tppp? -178.35 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.77 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.808 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.769 0.319 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.8 tt0 -70.64 -19.32 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.758 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . . . -73.87 -28.28 61.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.155 0.978 . . . . 0.0 110.211 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.581 ' H ' HD13 ' B' ' 4' ' ' LEU . 1.5 mp -76.76 -45.82 27.54 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.271 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.664 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.1 tmtp? -77.6 -36.64 51.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.944 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.619 HG22 ' O ' ' B' ' 3' ' ' ALA . 2.0 tt -53.71 -41.75 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-O 122.307 1.051 . . . . 0.0 108.956 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.787 HD21 HG22 ' B' ' 10' ' ' ILE . 3.1 tt -88.47 -28.11 21.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.635 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.518 HD21 HE22 ' B' ' 16' ' ' GLN . 52.2 t30 62.31 12.73 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.57 ' CA ' HD23 ' B' ' 7' ' ' LEU . 2.7 m120 70.27 127.67 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.038 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.047 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.787 HG22 HD21 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -53.07 -35.37 22.65 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.704 -179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.625 ' HG3' HG23 ' B' ' 12' ' ' THR . 36.6 ptt180 -49.25 -43.8 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.07 0.462 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.625 HG23 ' HG3' ' B' ' 11' ' ' ARG . 25.9 p -88.14 -38.32 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.071 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.704 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -63.72 -58.69 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.405 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.651 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -46.32 -28.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 111.152 -178.517 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.55 ' N ' ' HD3' ' B' ' 14' ' ' ARG . . . -85.51 -52.26 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.704 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.9 pt20 -61.98 -33.51 74.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.624 ' HB1' HD21 ' B' ' 13' ' ' LEU . . . -85.7 -22.95 27.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.158 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.629 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -48.48 -33.36 9.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.4 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -61.51 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.1 p -103.14 -144.28 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.319 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.514 HG23 ' H ' ' B' ' 22' ' ' LEU . 15.8 m -110.52 173.69 6.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.379 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.781 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.71 -14.3 8.18 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.552 0.215 . . . . 0.0 110.502 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -39.83 -27.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.372 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' B' ' 22' ' ' LEU . 64.1 m -53.57 -43.67 68.68 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.235 178.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.781 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -66.98 -45.09 78.72 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.693 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.723 ' N ' HD11 ' B' ' 25' ' ' LEU . 81.6 tt0 -56.26 -24.86 45.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.5 tp10 -84.03 -53.54 5.48 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.3 mmt -88.88 -48.64 7.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.176 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.666 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 45.8 tp -59.06 -28.51 66.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.05 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.735 ' HB2' HG22 ' A' ' 10' ' ' ILE . 78.1 tt0 -72.61 -31.6 65.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.68 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.819 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -87.07 -32.24 20.07 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.76 0.791 . . . . 0.0 109.587 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.992 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 15.5 tp -66.61 -24.21 66.28 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.989 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 32' ' ' LEU . 11.2 pt-20 -86.73 -45.48 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.169 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.819 HG22 ' HA ' ' B' ' 31' ' ' LYS . 34.7 m -63.7 -33.18 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.331 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.61 HG22 HG13 ' A' ' 36' ' ' VAL . 8.0 p -58.47 -46.19 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.747 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -79.4 -20.66 12.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.66 177.444 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.493 ' OD1' HD12 ' A' ' 4' ' ' LEU . 29.6 t30 -55.88 -37.76 69.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.98 -43.07 20.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.892 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.995 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.53 -54.57 15.92 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.697 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' B' ' 36' ' ' VAL . 22.5 mmm180 -47.62 -39.83 17.93 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.706 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.5 -38.96 23.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.502 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 43.6 tt0 -78.01 -40.41 39.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 111.451 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 1.049 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 22.1 mm-40 -57.76 -47.56 82.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.78 -34.31 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' B' ' 42' ' ' GLU . . . -67.64 -44.73 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.702 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.66 95.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.99 81.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.798 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.4 -43.85 31.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 41.5 tp10 -72.43 -0.35 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.472 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -46.34 -45.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.705 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 55' ' ' ARG . 44.6 tt0 63.05 140.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.018 0.437 . . . . 0.0 111.271 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.627 ' HG3' ' HG2' ' B' ' 53' ' ' ARG . 16.5 pt-20 -173.29 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.627 ' HG2' ' HG3' ' B' ' 52' ' ' GLU . 16.2 ptm180 -165.57 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.741 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -54.35 -38.32 65.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' B' ' 51' ' ' GLU . 44.7 mmm-85 -144.76 146.47 32.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -154.08 -46.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.947 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.689 0.281 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.615 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 36.9 tt0 -75.25 -25.27 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -82.8 -21.25 34.58 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.916 0.865 . . . . 0.0 109.491 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.596 ' HB3' HD22 ' A' ' 9' ' ' ASN . 10.1 mt -82.23 -46.57 13.54 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.501 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.659 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.2 tmtp? -79.59 -24.05 42.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.276 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 3.3 tt -53.03 -45.6 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.607 0.718 . . . . 0.0 109.169 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.636 HD12 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -104.85 -7.19 19.57 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.474 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.57 30.46 17.06 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.944 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.596 HD22 ' HB3' ' A' ' 4' ' ' LEU . 2.8 m120 61.71 129.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.865 HG23 ' HB2' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -53.35 -23.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.624 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 13.9 ptp180 -65.5 -51.66 58.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 94.8 m -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.206 0.526 . . . . 0.0 110.501 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.747 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.1 tt -63.89 -51.34 65.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 32.8 tpt85 -46.29 -32.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.27 -49.69 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.274 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.747 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.29 -33.72 76.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.532 0.682 . . . . 0.0 109.735 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.657 ' HB3' HD23 ' A' ' 13' ' ' LEU . . . -86.3 -19.54 29.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.523 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -44.73 -30.06 0.88 Allowed 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.325 0.583 . . . . 0.0 109.748 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -115.32 45.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.1 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' ALA . 47.4 t -168.44 163.81 12.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.505 HG21 ' H ' ' A' ' 23' ' ' GLU . 57.1 m -68.39 155.62 39.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.183 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.785 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.22 -12.92 9.99 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.607 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' H ' HG21 ' A' ' 21' ' ' THR . 1.0 OUTLIER -39.71 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.758 -179.376 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.76 -40.75 63.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.777 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.83 -43.12 76.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.09 0.472 . . . . 0.0 109.902 178.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.733 ' N ' HD11 ' A' ' 25' ' ' LEU . 29.0 tt0 -57.51 -23.69 51.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 81.4 tt0 -84.2 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.918 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.3 mmt -89.71 -46.27 8.73 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.759 HD23 ' HB2' ' A' ' 25' ' ' LEU . 34.5 tp -61.45 -26.6 67.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HB2' HG21 ' B' ' 10' ' ' ILE . 38.6 tt0 -74.25 -35.1 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 111.268 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.839 ' HA ' HG22 ' A' ' 34' ' ' VAL . 53.9 mmtt -86.08 -28.46 24.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 109.592 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.897 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.3 tp -66.4 -26.13 67.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.021 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.712 ' N ' HD22 ' B' ' 32' ' ' LEU . 12.3 pt-20 -85.13 -40.79 16.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.006 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' HA ' ' A' ' 31' ' ' LYS . 22.9 m -68.01 -33.53 61.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.959 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG13 ' H ' ' A' ' 36' ' ' VAL . 14.9 p -57.74 -48.15 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.663 ' H ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -78.04 -32.34 17.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.958 177.389 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -42.27 -42.83 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.583 0.706 . . . . 0.0 109.39 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.67 -40.25 73.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.929 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.877 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -75.39 -52.9 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.735 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.655 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 23.1 mmm180 -44.65 -37.65 3.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.88 -48.32 8.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 57.5 mm-40 -87.45 -44.8 11.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.954 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -57.13 -48.41 78.74 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -55.94 -35.73 66.98 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -62.48 -41.43 98.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.787 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.76 95.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.493 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' O ' HG13 ' A' ' 50' ' ' VAL . . . -65.55 -43.86 88.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.73 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 41.0 tp10 -56.58 -35.31 68.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 47' ' ' ALA . 29.1 m 42.21 50.64 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.442 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG2' ' HG3' ' A' ' 49' ' ' GLU . 52.0 mm-40 -56.29 127.46 30.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.656 0.265 . . . . 0.0 110.62 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -153.36 -45.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -172.86 46.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 5.9 t -60.03 140.77 56.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.418 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -59.92 139.47 57.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -172.4 39.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.087 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD22 ' H ' ' A' ' 57' ' ' LEU . 2.1 pt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.46 ' CA ' HD22 ' B' ' 4' ' ' LEU . 47.0 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -73.18 -21.39 60.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.351 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.621 ' O ' ' HB2' ' A' ' 33' ' ' GLU . . . -80.55 -25.15 38.79 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.929 0.871 . . . . 0.0 109.538 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.559 ' HB3' HD22 ' B' ' 9' ' ' ASN . 1.7 mm? -86.1 -37.3 18.96 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.16 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -85.37 -22.43 28.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.707 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.536 HG22 ' O ' ' B' ' 3' ' ' ALA . 8.1 tt -54.38 -51.22 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-O 122.215 1.007 . . . . 0.0 109.499 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.798 HD13 HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -100.02 -8.72 23.51 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.523 -1.672 . . . . 0.0 108.912 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.457 ' O ' HG22 ' B' ' 12' ' ' THR . 5.2 m120 63.19 27.63 15.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.559 HD22 ' HB3' ' B' ' 4' ' ' LEU . 3.0 m120 62.43 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.221 0.534 . . . . 0.0 111.345 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.798 HG22 HD13 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -57.29 -19.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.844 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.513 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.3 ptm180 -62.21 -58.1 9.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.457 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -77.6 -30.19 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.325 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.765 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.8 tt -62.09 -52.25 64.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.198 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 11.9 tpt180 -45.54 -32.51 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.96 -47.02 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 112.14 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.765 HE21 ' HA ' ' B' ' 13' ' ' LEU . 22.3 pt20 -64.73 -35.51 81.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.711 0.767 . . . . 0.0 109.475 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.557 ' HB2' HD23 ' B' ' 13' ' ' LEU . . . -86.52 -19.2 29.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.598 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.0 ttt180 -44.03 -30.95 0.8 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.237 0.542 . . . . 0.0 109.688 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -112.63 45.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.068 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 17' ' ' ALA . 47.4 t -168.53 162.68 12.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.064 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.55 HG21 ' H ' ' B' ' 23' ' ' GLU . 58.0 m -67.41 155.44 38.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.764 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -60.77 -12.15 9.78 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 44.0 tt0 -39.27 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.475 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.7 t -53.71 -36.59 62.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.942 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.0 OUTLIER -72.88 -45.09 60.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.241 178.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.732 ' N ' HD12 ' B' ' 25' ' ' LEU . 12.2 pt-20 -60.4 -19.68 56.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.3 tp10 -83.79 -58.21 2.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.611 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 58.5 mtt -90.13 -45.62 9.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.641 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.665 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 31.8 tp -61.44 -27.03 68.27 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.147 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.865 ' HB2' HG23 ' A' ' 10' ' ' ILE . 38.9 tt0 -75.26 -32.68 61.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.757 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.7 mmtp -87.37 -27.94 22.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.96 0.886 . . . . 0.0 109.576 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.897 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 25.5 tp -67.87 -24.76 65.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.698 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -86.11 -36.52 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 178.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.757 HG22 ' HA ' ' B' ' 31' ' ' LYS . 12.8 m -68.89 -35.48 69.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.91 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.702 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 4.7 m -54.93 -53.33 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -74.38 -27.22 21.16 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 120.344 -0.543 . . . . 0.0 111.015 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 33.9 t30 -49.19 -41.38 36.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.167 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.954 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -77.98 -41.93 34.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.842 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.525 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 22.6 mmm180 -54.23 -38.1 65.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -87.53 -47.05 9.04 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.543 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -88.25 -44.85 10.54 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.877 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.6 tm-20 -59.48 -47.7 84.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.074 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -54.76 -34.19 62.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.05 -42.16 89.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.889 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.75 95.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.744 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.69 65.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.27 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.29 90.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.75 -37.02 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 p 41.34 46.2 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.325 0.583 . . . . 0.0 111.334 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.24 139.46 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -160.26 -37.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 64.9 mtm-85 -146.97 -42.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.433 ' HG1' ' NZ ' ' B' ' 56' ' ' LYS . 60.1 p 50.01 -138.3 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -174.69 136.13 0.42 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.646 ' HZ3' ' HB3' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -161.38 138.08 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.316 -0.85 . . . . 0.0 111.108 -179.695 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.773 0.32 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.51 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.2 tt0 -72.92 -29.57 63.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -75.21 -23.07 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.027 0.918 . . . . 0.0 110.23 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -81.94 -44.44 16.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.916 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.66 -23.38 34.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.83 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.68 HG21 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.89 -49.42 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD12 HG23 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -100.34 -11.16 20.52 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.22 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 65.67 28.86 11.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.514 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.6 m120 61.81 129.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.694 HG23 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -61.5 -27.58 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.87 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.3 ptp180 -49.67 -50.75 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.281 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 99.1 m -83.43 -33.78 25.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.842 ' HA ' HE21 ' A' ' 16' ' ' GLN . 2.2 tp -63.06 -61.56 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.628 ' HA ' HD12 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -46.19 -25.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 -177.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.5 7.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.01 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.842 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.6 pt20 -63.0 -36.55 83.92 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 109.768 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.729 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -86.26 -19.56 29.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.549 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.6 tpt180 -43.5 -30.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.2 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.83 36.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.508 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' ALA . 68.7 m -164.35 -165.41 0.96 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.981 0.42 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 23' ' ' GLU . 64.1 m -87.67 155.29 20.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.222 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.808 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.9 -13.78 27.97 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.481 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.716 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 24.8 pt-20 -39.67 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 111.401 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 93.8 m -51.91 -36.94 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.1 pp -72.45 -44.03 62.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.716 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -59.42 -21.0 59.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 5.4 tp10 -84.05 -56.32 3.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.607 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -89.7 -47.79 7.7 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 25' ' ' LEU . 41.5 tp -59.57 -22.52 61.87 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.124 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB2' HG23 ' B' ' 10' ' ' ILE . 39.9 tt0 -79.36 -31.94 43.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.189 0.519 . . . . 0.0 110.5 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.822 ' HA ' HG23 ' A' ' 34' ' ' VAL . 54.2 mmtt -87.08 -28.86 22.29 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.733 0.777 . . . . 0.0 109.763 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.91 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 23.6 tp -68.93 -24.8 64.32 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.521 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.682 ' N ' HD21 ' B' ' 32' ' ' LEU . 14.7 pt-20 -84.48 -34.6 23.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.822 HG23 ' HA ' ' A' ' 31' ' ' LYS . 16.9 m -71.8 -36.98 60.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.174 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.668 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m -56.06 -49.38 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.689 HG21 HG22 ' B' ' 35' ' ' VAL . 7.6 p -81.72 -18.23 11.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.009 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 34.1 t30 -59.12 -41.77 88.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.71 -42.66 60.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.378 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 1.139 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.77 -32.26 71.88 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.572 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.611 ' N ' ' O ' ' A' ' 36' ' ' VAL . 4.2 mmm180 -64.51 -44.9 89.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -85.54 -27.68 25.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.051 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 17.6 tp10 -82.31 -39.65 22.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.603 0.24 . . . . 0.0 111.632 -178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.008 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.4 mm-40 -60.05 -48.59 81.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 93.1 p -56.33 -33.28 65.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -71.69 -39.93 69.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.441 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.55 94.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' HG11 ' A' ' 50' ' ' VAL . . . -63.85 -40.25 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.087 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.27 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.562 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.8 88.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.074 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 47' ' ' ALA . 10.4 p -55.59 -46.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -154.67 132.06 11.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.72 0.295 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.98 -43.9 18.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.397 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 6.2 tpm_? -175.32 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.531 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.8 t -87.45 132.85 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.573 ' H ' ' HD2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -70.16 136.95 50.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' HZ2' ' HZ3' ' B' ' 56' ' ' LYS . 56.7 mtpt -63.63 -46.62 84.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.881 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.553 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 -75.09 -32.51 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.476 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -74.81 -24.87 58.71 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.029 0.919 . . . . 0.0 110.431 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.4 OUTLIER -83.18 -43.95 15.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.438 -179.002 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.413 ' HZ3' HD22 ' B' ' 8' ' ' ASN . 26.1 tptp -83.29 -24.18 32.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.553 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 2.9 tt -54.72 -45.82 73.53 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.683 0.754 . . . . 0.0 109.81 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.704 HD11 HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.28 -11.45 16.5 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.525 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.413 HD22 ' HZ3' ' B' ' 5' ' ' LYS . 5.2 m120 65.46 32.72 9.32 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.073 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.508 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 61.81 126.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.704 HG21 HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -55.03 -29.69 22.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.856 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.508 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 36.2 ptt180 -54.79 -51.07 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 98.2 m -75.38 -34.51 61.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.761 HD12 HG22 ' B' ' 24' ' ' THR . 6.9 tp -61.75 -59.74 4.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.471 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 37.3 ttt85 -45.42 -26.57 0.57 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.541 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.39 -51.29 6.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.048 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 13.3 pt20 -63.68 -35.45 80.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.622 0.725 . . . . 0.0 110.239 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.654 ' HB3' HD11 ' B' ' 13' ' ' LEU . . . -86.69 -19.8 28.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.635 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -42.84 -30.3 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.255 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -98.82 37.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.528 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 17' ' ' ALA . 62.0 m -163.41 -165.22 1.03 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.7 m -95.87 160.22 14.58 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.787 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -59.0 -13.92 7.93 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.692 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.595 ' HA ' ' HG2' ' B' ' 26' ' ' GLU . 88.2 tt0 -40.28 -26.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.761 HG22 HD12 ' B' ' 13' ' ' LEU . 5.1 t -54.29 -38.22 65.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.034 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.787 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 1.1 pp -72.33 -45.07 61.56 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.726 ' N ' HD12 ' B' ' 25' ' ' LEU . 15.6 pt-20 -58.65 -20.8 51.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.1 tp10 -83.18 -58.82 2.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.666 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.9 mtt -89.92 -44.7 9.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.669 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 35.8 tp -59.3 -35.51 73.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.683 ' HB2' HG22 ' A' ' 10' ' ' ILE . 18.0 tp10 -66.97 -31.19 71.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.651 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -83.15 -28.06 29.66 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.803 0.811 . . . . 0.0 109.352 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.91 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.9 tp -68.25 -25.35 65.13 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.618 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.721 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.26 -37.18 18.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.728 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.4 m -68.01 -35.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.689 HG22 HG21 ' A' ' 36' ' ' VAL . 13.1 p -56.56 -42.57 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.666 ' N ' HG11 ' B' ' 35' ' ' VAL . 0.1 OUTLIER -85.19 -20.63 8.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.915 177.233 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.416 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 33.4 t30 -53.72 -36.1 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -84.27 -45.52 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.268 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.008 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.5 -53.49 22.92 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 36' ' ' VAL . 18.7 mmm180 -48.55 -40.38 26.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.664 0.269 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -84.27 -39.46 19.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -78.58 -38.62 39.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.753 -178.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 1.139 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.1 mm-40 -58.17 -46.96 84.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.55 -35.16 69.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 42' ' ' GLU . . . -67.68 -40.55 84.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.272 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.87 94.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.403 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.482 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.02 -40.55 96.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.605 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.03 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.009 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.22 -43.11 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.294 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 47' ' ' ALA . 17.2 m -71.41 70.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.945 0.403 . . . . 0.0 111.501 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 68.15 131.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.182 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.38 -42.27 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -174.69 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 81.5 p -70.88 131.3 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.499 ' H ' ' HD2' ' B' ' 55' ' ' ARG . 0.0 OUTLIER -64.19 133.69 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.714 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.48 ' HZ3' ' HZ2' ' A' ' 56' ' ' LYS . 39.7 ttpt -68.97 -43.74 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.905 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.517 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 43.5 tp10 -78.26 -34.97 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.647 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.56 -22.29 54.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.625 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -85.53 -45.39 11.83 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.317 -178.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 17.0 tppt? -82.31 -22.61 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.824 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' CA ' ' A' ' 32' ' ' LEU . 5.3 tt -54.09 -52.58 35.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-O 121.925 0.869 . . . . 0.0 109.737 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -99.59 -10.39 22.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.887 -1.506 . . . . 0.0 108.856 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.32 32.55 14.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.058 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 60.22 128.91 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.69 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.641 ' CG2' ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.5 -24.49 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 179.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.5 ptp180 -63.82 -53.07 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.406 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 93.7 m -74.28 -36.17 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.372 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' HB1' ' A' ' 17' ' ' ALA . 6.2 tt -63.62 -50.7 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 34.0 tpt85 -46.68 -33.36 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.34 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.96 -49.87 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.403 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.6 pt20 -63.78 -34.71 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.574 0.702 . . . . 0.0 110.055 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.677 ' HB1' HD23 ' A' ' 13' ' ' LEU . . . -86.52 -20.59 27.81 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.598 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 80.3 ttt180 -44.05 -29.46 0.6 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -103.27 41.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.209 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.3 m -156.96 -144.11 0.13 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.568 HG21 ' N ' ' A' ' 22' ' ' LEU . 32.6 m -126.13 164.28 21.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.668 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.774 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.32 -15.5 16.51 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.51 0.195 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -41.87 -24.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.261 0.553 . . . . 0.0 110.126 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.672 HG21 HD11 ' A' ' 13' ' ' LEU . 87.0 m -53.95 -39.02 65.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.958 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.774 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.11 -47.18 53.13 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.734 ' N ' HD11 ' A' ' 25' ' ' LEU . 11.6 pt-20 -56.22 -23.72 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.8 tt0 -83.65 -54.33 5.0 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.06 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -89.48 -46.96 8.31 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.71 HD12 HD22 ' B' ' 32' ' ' LEU . 30.1 tp -54.98 -41.88 71.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.654 ' HB2' HG23 ' B' ' 10' ' ' ILE . 34.8 tt0 -62.36 -31.66 72.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.639 ' HA ' HG23 ' A' ' 34' ' ' VAL . 27.1 mmtp -87.67 -31.96 19.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.652 0.739 . . . . 0.0 110.041 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.83 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 23.3 tp -69.11 -24.18 64.09 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.892 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.604 ' HB3' HD21 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.52 -38.87 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.351 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG23 ' HA ' ' A' ' 31' ' ' LYS . 29.1 m -69.21 -36.92 75.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.705 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.0 m -55.98 -50.8 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 1.056 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.8 p -79.29 -19.11 12.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.674 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.9 t30 -61.21 -47.38 86.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.6 -42.08 83.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.975 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -71.87 -26.87 62.52 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.258 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 36' ' ' VAL . 1.2 mmm180 -66.75 -43.55 83.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -84.94 -26.9 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.686 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 17.6 tp10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.008 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 12.6 mm-40 -62.53 -47.75 82.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -54.9 -33.33 61.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 42' ' ' GLU . . . -68.55 -45.94 70.8 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.376 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.54 -39.64 94.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.862 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.76 77.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.12 85.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.44 -47.89 84.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 46' ' ' ALA . 7.4 p -77.05 72.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.534 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -65.17 -151.26 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -179.14 44.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 7.7 ptm180 -173.57 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.063 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.4 m -60.82 -34.13 74.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.038 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 39.2 mmm-85 68.56 132.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HZ2' ' HZ2' ' B' ' 56' ' ' LYS . 67.0 mttm -64.57 135.07 55.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.495 ' N ' HD23 ' B' ' 4' ' ' LEU . 79.5 p . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.594 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 -83.2 -35.11 25.71 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.324 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.485 ' O ' HG21 ' B' ' 6' ' ' ILE . . . -74.28 -27.09 60.57 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.56 13.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.407 -178.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.505 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 19.4 tptm -79.54 -26.04 41.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' B' ' 2' ' ' GLU . 2.6 tt -54.84 -46.12 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.529 0.68 . . . . 0.0 109.937 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.623 HD13 HG21 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -105.44 -11.55 16.38 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.628 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.505 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 66.0 m-80 67.48 30.51 6.76 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.52 HD22 ' HB3' ' B' ' 4' ' ' LEU . 2.6 m120 62.19 127.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.654 HG23 ' HB2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -55.2 -22.59 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.54 ' HG3' HG23 ' B' ' 12' ' ' THR . 15.4 ptp180 -63.57 -54.27 38.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.54 HG23 ' HG3' ' B' ' 11' ' ' ARG . 16.1 p -74.59 -37.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.176 0.512 . . . . 0.0 110.275 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.679 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.16 -51.85 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 35.9 tpt85 -46.97 -33.18 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.85 -49.54 8.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.5 pt20 -64.85 -33.83 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.064 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.677 ' HB1' HD23 ' B' ' 13' ' ' LEU . . . -86.52 -20.97 27.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.525 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.559 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.7 ttt180 -43.1 -29.79 0.39 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -105.02 43.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.3 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.2 m -157.58 -145.54 0.15 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.656 HG21 ' H ' ' B' ' 22' ' ' LEU . 41.7 m -126.31 160.27 30.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.687 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.931 HD11 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -58.28 -16.09 12.77 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.604 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -41.41 -27.33 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.065 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.7 t -55.65 -42.83 75.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.338 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.931 HD21 HD11 ' B' ' 22' ' ' LEU . 1.2 pp -67.42 -44.1 79.62 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.196 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.732 ' N ' HD11 ' B' ' 25' ' ' LEU . 79.1 tt0 -54.27 -27.07 32.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.68 -50.74 7.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.06 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.5 mtt -88.8 -48.32 7.58 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.676 HD13 HD23 ' A' ' 32' ' ' LEU . 28.9 tp -53.75 -38.23 64.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.131 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.598 ' HB2' HG23 ' A' ' 10' ' ' ILE . 34.3 tt0 -64.18 -34.15 77.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.964 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 26.7 mmtp -86.32 -27.32 24.39 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.407 0.622 . . . . 0.0 110.15 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.83 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 tp -70.33 -26.1 63.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.762 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.648 ' N ' HD22 ' A' ' 32' ' ' LEU . 15.0 pt-20 -85.03 -39.06 18.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.991 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 31' ' ' LYS . 32.3 m -70.85 -38.44 72.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.052 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.643 HG11 ' HA ' ' B' ' 32' ' ' LEU . 8.7 p -55.78 -47.23 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 1.056 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.2 p -83.76 -19.31 9.61 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.137 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.612 ' ND2' HD11 ' A' ' 4' ' ' LEU . 32.0 t-20 -52.64 -43.17 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.67 -40.45 69.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.85 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.008 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.07 -51.96 33.41 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.142 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.517 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 6.5 mmm180 -48.19 -40.14 23.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.599 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.2 -39.61 16.45 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -80.94 -42.5 21.21 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.975 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 17.9 mm-40 -58.63 -47.79 83.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.667 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -56.06 -33.53 65.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -68.19 -43.87 77.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.299 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.469 ' O ' HG21 ' B' ' 50' ' ' VAL . . . -61.3 -39.45 90.49 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.615 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -71.53 -39.71 70.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.89 92.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.781 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.0 -38.23 82.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.774 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.469 HG21 ' O ' ' B' ' 46' ' ' ALA . 31.9 m -76.49 53.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.91 -134.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.848 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.621 ' HG3' ' HG3' ' B' ' 53' ' ' ARG . 16.7 pt-20 -173.61 -152.65 0.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.621 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 99.1 mtt180 58.24 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.822 0.344 . . . . 0.0 111.243 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.474 ' N ' ' O ' ' B' ' 52' ' ' GLU . 7.6 t -71.81 136.29 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -63.15 136.99 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.542 ' HZ2' ' HZ2' ' A' ' 56' ' ' LYS . 21.3 ptmt -78.11 45.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.578 0.228 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.06 -22.9 44.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.793 0.806 . . . . 0.0 110.506 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' B' ' 33' ' ' GLU . 2.1 mm? -84.52 -46.19 11.85 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.384 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.23 -23.66 37.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.242 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 32' ' ' LEU . 9.1 tt -53.85 -50.8 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 122.087 0.946 . . . . 0.0 109.876 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.893 HD13 HD21 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -102.73 -9.72 19.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.911 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' THR . 48.3 t-20 60.75 25.78 15.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.509 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.67 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 21.6 m-20 67.5 128.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -52.16 -26.69 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.383 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.4 ptt180 -52.64 -50.1 63.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.634 0.254 . . . . 0.0 111.596 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 8' ' ' ASN . 15.0 t -84.34 -33.96 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.719 0.295 . . . . 0.0 111.63 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.619 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -61.68 -57.73 10.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.413 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.827 ' HG3' HD21 ' B' ' 22' ' ' LEU . 73.5 ttt180 -48.48 -27.72 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.462 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 -50.13 7.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.116 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.619 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.4 pt20 -64.48 -33.51 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.49 0.662 . . . . 0.0 109.865 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -85.98 -22.56 27.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.389 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.4 ttt-85 -43.98 -31.41 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.8 35.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.42 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' ALA . 81.2 p -168.49 -162.83 0.42 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.622 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.672 HG22 ' H ' ' A' ' 23' ' ' GLU . 86.0 m -89.04 155.43 19.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.317 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.115 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -60.86 -12.7 11.82 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.672 ' H ' HG22 ' A' ' 21' ' ' THR . 89.2 tt0 -39.17 -25.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.589 0.233 . . . . 0.0 110.797 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 17' ' ' ALA . 70.1 p -50.8 -40.33 55.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.115 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.64 -43.78 75.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.872 178.291 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.934 ' HA ' HG21 ' B' ' 10' ' ' ILE . 27.8 tt0 -57.58 -23.62 51.7 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.7 tp10 -83.95 -54.17 5.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.748 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.4 mtt -90.24 -46.78 8.2 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.905 HD21 HD13 ' B' ' 7' ' ' LEU . 15.3 tp -61.26 -40.76 95.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.714 ' O ' HG13 ' A' ' 34' ' ' VAL . 81.2 tt0 -62.76 -34.88 78.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.909 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.692 ' HA ' HG22 ' A' ' 34' ' ' VAL . 66.4 mmtt -86.5 -26.56 24.53 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.685 0.755 . . . . 0.0 109.727 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.99 HD11 ' HA ' ' B' ' 33' ' ' GLU . 53.4 tp -69.67 -24.86 63.67 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.065 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -86.21 -35.84 19.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.407 178.721 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 30' ' ' GLU . 12.4 m -70.18 -36.5 68.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.754 HG22 HG21 ' B' ' 36' ' ' VAL . 7.5 p -59.92 -50.8 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.2 p -75.72 -18.95 15.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.777 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' ND2' HD11 ' B' ' 4' ' ' LEU . 30.4 t-20 -57.36 -48.43 79.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.42 -42.95 82.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.315 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.085 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.01 -30.87 69.35 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.359 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.867 ' HG2' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -65.91 -43.84 86.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.94 -28.62 27.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.429 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 52.1 mt-10 -86.6 -39.74 15.85 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.058 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.7 mm-40 -62.3 -45.34 93.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.753 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.23 -44.19 72.53 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.47 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.121 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.786 179.712 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.504 0.192 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.02 -22.98 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.891 0.853 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.769 HD13 ' OE1' ' A' ' 33' ' ' GLU . 2.0 mm? -84.44 -46.2 11.91 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.403 -1.272 . . . . 0.0 110.429 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -81.32 -23.54 37.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.217 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.754 HG21 HD13 ' B' ' 32' ' ' LEU . 9.1 tt -53.88 -50.95 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 122.095 0.95 . . . . 0.0 109.75 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.905 HD13 HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -102.69 -9.57 19.94 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 113.71 -1.587 . . . . 0.0 108.964 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.559 ' O ' HG22 ' B' ' 12' ' ' THR . 48.2 t-20 60.68 25.64 15.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.675 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 21.6 m-20 67.69 128.82 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -52.15 -26.7 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.362 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 12' ' ' THR . 38.3 ptt180 -52.74 -50.02 64.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.617 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.559 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -84.28 -34.1 23.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.612 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.607 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 4.8 tt -61.71 -57.6 11.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.435 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.829 ' HG3' HD21 ' A' ' 22' ' ' LEU . 73.5 ttt180 -48.54 -27.67 2.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.789 0.328 . . . . 0.0 111.415 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.44 -50.33 7.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.141 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.607 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.4 pt20 -64.29 -33.61 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.541 0.686 . . . . 0.0 109.909 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -85.91 -22.64 27.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.35 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.3 ttt-85 -43.96 -31.39 0.88 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.75 35.49 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.414 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.41 ' N ' ' O ' ' B' ' 17' ' ' ALA . 82.1 p -168.44 -162.8 0.42 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.889 0.376 . . . . 0.0 111.717 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.67 HG22 ' H ' ' B' ' 23' ' ' GLU . 86.2 m -89.07 155.46 19.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.5 OUTLIER -60.94 -12.76 12.31 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.296 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.67 ' H ' HG22 ' B' ' 21' ' ' THR . 89.2 tt0 -39.01 -25.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.591 HG21 ' HB2' ' B' ' 17' ' ' ALA . 69.7 p -50.85 -40.4 55.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.47 -43.93 75.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.91 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 27.8 tt0 -57.56 -23.57 51.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.7 tp10 -84.04 -54.08 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.739 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 64.5 mtt -90.34 -46.64 8.26 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.893 HD21 HD13 ' A' ' 7' ' ' LEU . 15.3 tp -61.26 -40.88 95.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.702 ' O ' HG13 ' B' ' 34' ' ' VAL . 81.3 tt0 -62.7 -34.78 77.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.702 ' HA ' HG22 ' B' ' 34' ' ' VAL . 66.4 mmtt -86.64 -26.45 24.35 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.986 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 53.5 tp -69.75 -24.72 63.57 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.157 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.99 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.31 -35.85 19.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.336 178.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.702 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.6 m -70.25 -36.54 67.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.735 HG22 HG21 ' A' ' 36' ' ' VAL . 7.4 p -59.77 -50.89 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.2 p -75.66 -18.97 15.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.741 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.525 ' ND2' HD11 ' A' ' 4' ' ' LEU . 30.2 t-20 -57.42 -48.39 79.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.53 -42.8 82.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.366 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.058 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.1 -30.72 69.07 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.357 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' B' ' 36' ' ' VAL . 0.3 OUTLIER -66.16 -43.66 86.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.513 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.95 -28.71 27.62 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.603 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 52.1 mt-10 -86.53 -39.87 15.81 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.085 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.7 mm-40 -62.2 -45.36 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.758 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.39 -33.9 66.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.22 -44.31 72.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.463 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 179.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 86.6 tt0 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 120.682 0.277 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -74.79 -22.02 58.98 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.925 0.869 . . . . 0.0 109.914 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.45 14.03 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.776 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -80.1 -25.02 40.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.982 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.49 -56.7 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-O 121.71 0.767 . . . . 0.0 109.058 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.18 -11.67 37.68 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.537 179.355 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.53 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER 64.06 34.95 10.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.428 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.532 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 28.3 m-20 59.01 129.09 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.764 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.8 -28.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.929 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.0 ptp180 -58.48 -52.9 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 98.5 m -73.15 -34.11 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.291 0.567 . . . . 0.0 110.58 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.978 HD21 HD22 ' B' ' 25' ' ' LEU . 6.1 tp -62.01 -60.19 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.427 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.849 ' HG3' HD21 ' B' ' 22' ' ' LEU . 72.5 ttt180 -45.62 -24.92 0.39 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.759 0.314 . . . . 0.0 111.386 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.17 -50.12 7.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.607 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -66.17 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.38 0.61 . . . . 0.0 110.117 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.52 -20.48 27.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.404 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 41.1 ttt85 -43.92 -29.76 0.61 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.516 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.0 39.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.485 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -163.5 -166.6 1.25 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.961 0.41 . . . . 0.0 111.456 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 22' ' ' LEU . 38.7 m -96.92 162.2 13.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.683 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.39 -15.34 10.28 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.515 0.198 . . . . 0.0 110.586 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.49 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.559 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 13' ' ' LEU . 5.2 t -52.22 -43.03 64.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.891 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 22' ' ' LEU . 1.2 pp -68.11 -42.81 79.7 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.7 tm-20 -54.17 -26.62 28.92 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 50.5 mt-10 -83.19 -48.97 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.837 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.471 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 20.5 mmt -89.27 -49.93 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.963 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.837 ' HG ' HD22 ' B' ' 7' ' ' LEU . 61.8 tp -56.0 -36.56 68.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.409 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 34' ' ' VAL . 42.4 tt0 -69.43 -33.25 72.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.531 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 34' ' ' VAL . 60.0 mmtt -87.45 -32.23 19.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.721 0.772 . . . . 0.0 110.215 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.982 HD13 HG21 ' A' ' 6' ' ' ILE . 23.0 tp -67.44 -23.49 65.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.755 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.8 pt-20 -85.32 -40.78 16.16 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.049 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.8 m -68.62 -37.09 77.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.244 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.677 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 6.4 p -56.02 -47.6 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.766 HG22 ' HG2' ' A' ' 40' ' ' ARG . 8.0 p -83.48 -20.37 9.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.007 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 31.2 t30 -56.5 -38.77 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.9 -41.79 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.049 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.831 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.79 -49.92 23.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.417 0.627 . . . . 0.0 110.53 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.766 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.9 mmt-85 -47.04 -39.01 11.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -87.15 -54.84 4.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -88.51 -39.35 14.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.831 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 66.2 mm-40 -72.85 -42.67 63.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.869 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -55.14 -33.66 63.09 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.43 -43.93 97.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 0.0 109.215 177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.829 178.549 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.579 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.2 tp10 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 120.494 0.187 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -86.05 -24.42 26.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.689 0.756 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.627 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.4 mm? -86.29 -42.05 14.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.913 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -83.31 -23.5 32.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.753 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.735 HG21 HD13 ' B' ' 32' ' ' LEU . 6.0 tt -53.92 -50.93 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.856 0.836 . . . . 0.0 109.637 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.837 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -101.75 -4.61 26.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.122 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.97 37.29 17.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.257 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.52 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 26.9 m-20 62.82 130.01 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.13 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.845 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.34 -31.32 26.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.567 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -55.51 -50.59 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.434 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.8 m -72.67 -35.69 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.713 HD21 HD22 ' A' ' 25' ' ' LEU . 4.2 tp -62.8 -59.54 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.508 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' B' ' 18' ' ' ARG . 75.8 mtp180 -43.6 -27.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.034 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.671 ' HA ' ' HG2' ' B' ' 18' ' ' ARG . . . -83.72 -49.34 9.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.826 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.691 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.5 pt20 -66.81 -25.61 66.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.399 0.618 . . . . 0.0 110.008 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -85.6 -18.87 32.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.583 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.671 ' HG2' ' HA ' ' B' ' 15' ' ' ALA . 23.7 mmm180 -39.87 -31.05 0.1 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.193 0.52 . . . . 0.0 109.688 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.82 49.08 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.131 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 17' ' ' ALA . 46.7 t -173.33 152.6 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.559 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.4 m -72.36 167.68 19.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.941 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -56.73 -14.97 3.77 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.767 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -40.31 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.611 0.243 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.662 HG21 HD11 ' B' ' 13' ' ' LEU . 4.7 t -53.92 -42.18 68.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.238 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.978 HD22 HD21 ' A' ' 13' ' ' LEU . 1.1 pp -68.27 -43.44 77.79 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 110.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.924 ' H ' HD12 ' B' ' 25' ' ' LEU . 37.6 tt0 -58.22 -23.77 56.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.1 tt0 -83.87 -53.33 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.634 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 21.2 mmt -89.85 -49.22 6.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.373 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.975 HD12 HD23 ' A' ' 32' ' ' LEU . 22.1 tp -60.84 -33.99 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.533 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 34' ' ' VAL . 32.2 tt0 -66.61 -33.46 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -85.3 -28.34 25.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.739 0.78 . . . . 0.0 109.533 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.895 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.4 tp -64.73 -26.61 68.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.579 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.953 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.2 pt-20 -85.67 -39.45 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.696 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' B' ' 31' ' ' LYS . 14.2 m -65.12 -34.59 71.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.807 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 27.5 m -55.84 -45.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.672 ' HA ' ' HB2' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -81.44 -20.35 10.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.522 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.9 t-20 -53.61 -36.58 62.13 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -82.11 -44.2 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.227 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.931 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.4 -56.27 7.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.902 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.644 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmt180 -46.65 -38.85 10.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -86.11 -50.81 6.74 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.4 tt0 -88.75 -42.57 11.86 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.931 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 44.4 mm-40 -70.25 -45.04 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.93 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -55.12 -33.27 62.72 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.8 -43.28 96.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.497 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.1 178.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 5.5 tp10 . . . . . 0 C--O 1.227 -0.104 0 CA-C-O 120.74 0.305 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.59 -26.6 45.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 122.105 0.955 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 4' ' ' LEU . 1.3 mm? -84.59 -40.71 17.2 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.303 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 44.9 tptt -76.19 -36.35 58.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.86 -53.42 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 122.523 1.154 . . . . 0.0 108.548 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' B' ' 33' ' ' GLU . 2.3 tt -75.18 -27.06 59.5 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.933 -1.94 . . . . 0.0 108.741 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' THR . 6.2 m120 66.15 6.19 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.607 ' CA ' HD22 ' A' ' 7' ' ' LEU . 34.2 m120 67.98 124.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.399 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.046 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -50.03 -27.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.509 -179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 34.0 ptt85 -53.79 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.24 . . . . 0.0 111.343 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 8' ' ' ASN . 13.2 t -86.98 -29.79 21.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 111.042 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.6 tt -61.72 -60.3 3.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.649 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 68.9 mtp180 -44.89 -31.86 1.4 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.946 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.43 13.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.728 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.5 pt20 -63.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.76 0.791 . . . . 0.0 109.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.4 -20.88 27.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.636 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.5 ttt-85 -44.82 -32.07 1.44 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -91.63 31.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.432 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 58.7 m -164.69 -162.85 0.68 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 111.319 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.2 m -92.05 160.72 15.09 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.01 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -59.67 -13.98 12.02 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.438 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' HD23 ' A' ' 22' ' ' LEU . 2.1 pp20? -39.91 -25.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.63 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.515 HG21 HD21 ' A' ' 13' ' ' LEU . 5.0 t -51.0 -42.2 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.01 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.8 -41.81 78.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.065 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.926 ' N ' HD12 ' A' ' 25' ' ' LEU . 81.7 tt0 -55.8 -24.5 36.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 tt0 -84.27 -53.64 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.02 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -88.96 -46.59 8.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.112 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD12 HD23 ' B' ' 32' ' ' LEU . 38.6 tp -60.67 -23.06 64.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.719 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -78.0 -32.45 51.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.813 ' HA ' HG22 ' A' ' 34' ' ' VAL . 26.1 mmtp -86.62 -33.61 20.09 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.692 0.758 . . . . 0.0 109.866 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.995 HD11 ' HA ' ' B' ' 33' ' ' GLU . 12.0 tp -64.66 -25.5 67.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.195 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.99 -43.87 13.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.771 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 31' ' ' LYS . 27.1 m -64.64 -31.76 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.498 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.782 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 26.9 m -56.43 -45.14 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.685 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -76.28 -35.15 27.0 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.837 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 51.6 t30 -42.83 -39.53 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.51 -46.01 34.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.519 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.822 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.09 -52.34 14.64 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 121.116 0.484 . . . . 0.0 110.901 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.0 mmm180 -43.13 -38.76 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.14 -0.35 . . . . 0.0 110.347 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.49 -45.34 11.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.5 mm-40 -84.8 -43.9 13.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.956 0.408 . . . . 0.0 112.029 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.036 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.2 tm-20 -55.96 -47.84 76.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -55.85 -36.14 67.21 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.08 -40.58 90.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.984 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.418 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.556 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 . . . . . 0 C--O 1.227 -0.108 0 CA-C-O 120.819 0.342 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.718 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -79.04 -19.98 50.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -82.22 -43.14 18.02 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.915 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.725 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.7 tmtt? -84.7 -23.17 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.965 HG21 HD13 ' B' ' 32' ' ' LEU . 3.7 tt -52.99 -45.47 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.586 0.708 . . . . 0.0 109.418 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.705 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.11 -9.27 17.9 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.59 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.35 34.39 13.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.575 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 34.0 m-20 62.2 126.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.78 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -53.38 -28.72 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.462 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.581 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.3 ptt180 -59.4 -48.32 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.3 m -79.8 -39.92 29.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.59 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 tt -64.18 -53.52 48.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.473 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.838 ' HG2' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -48.59 -29.32 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.15 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' B' ' 18' ' ' ARG . . . -86.24 -50.88 6.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.643 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.3 pt20 -63.45 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.525 0.678 . . . . 0.0 109.969 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.61 -24.09 27.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.256 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.1 ttt-85 -46.05 -32.09 2.65 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -84.26 26.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -161.81 -155.35 0.38 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.369 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 23' ' ' GLU . 49.0 m -96.32 158.35 15.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.002 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -60.83 -13.33 14.73 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.437 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.453 ' H ' HG22 ' B' ' 21' ' ' THR . 43.3 tt0 -40.03 -25.38 0.02 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.624 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -51.74 -37.95 53.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.33 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.002 HD21 HD12 ' B' ' 22' ' ' LEU . 0.7 OUTLIER -67.73 -44.51 77.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.125 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 1.046 ' HA ' HG21 ' A' ' 10' ' ' ILE . 26.0 tt0 -58.65 -21.69 54.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.8 tp10 -82.97 -56.17 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.721 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.3 mmt -90.93 -45.87 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 32' ' ' LEU . 44.3 tp -62.67 -40.65 97.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.992 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' B' ' 26' ' ' GLU . 40.4 tt0 -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 111.082 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.5 mmtp -86.09 -25.13 26.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.594 0.711 . . . . 0.0 109.095 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.966 HD11 ' HA ' ' A' ' 33' ' ' GLU . 17.0 tp -67.8 -26.48 66.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.798 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.995 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.3 pt-20 -83.84 -38.56 21.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.97 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' B' ' 31' ' ' LYS . 26.2 m -72.08 -38.17 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.3 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.519 HG12 ' C ' ' B' ' 32' ' ' LEU . 7.2 p -55.97 -48.94 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.772 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.5 p -79.36 -32.52 14.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.755 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 33.7 t30 -42.72 -43.16 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 109.717 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.27 -42.45 93.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.749 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.036 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.11 -49.73 22.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.567 179.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.772 ' HG2' HG22 ' B' ' 36' ' ' VAL . 7.1 mmm180 -45.06 -41.39 7.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.861 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 42' ' ' GLU . 16.8 pt-20 -88.06 -46.53 9.25 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 41' ' ' GLU . 55.8 mt-10 -87.27 -43.97 11.78 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.822 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 25.4 tp10 -59.56 -45.8 90.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.786 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -57.97 -35.54 71.31 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.31 -41.61 96.75 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.998 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.398 179.281 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.7 tt0 . . . . . 0 C--O 1.222 -0.344 0 CA-C-O 120.576 0.227 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.636 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.86 -26.73 44.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.918 0.866 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.599 HD22 ' H ' ' A' ' 4' ' ' LEU . 1.3 mm? -84.89 -37.37 20.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.392 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.636 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.18 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.845 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.67 -53.11 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.487 0.66 . . . . 0.0 109.617 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -95.64 -8.58 34.44 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.031 178.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 m120 62.76 28.65 16.58 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.749 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 50.6 m-20 63.51 129.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.174 0.511 . . . . 0.0 111.68 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -59.69 -21.09 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.591 179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 39.0 ptt180 -60.19 -55.82 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 8' ' ' ASN . 14.8 t -78.74 -31.97 46.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 13' ' ' LEU . 5.8 tt -61.4 -46.07 91.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.227 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.654 ' HD2' HD21 ' B' ' 22' ' ' LEU . 24.4 tpt180 -43.14 -38.74 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.631 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . . . -87.25 -41.36 13.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.042 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 41.0 tt0 -55.63 -42.02 74.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.027 0.917 . . . . 0.0 109.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . . . -88.41 -19.69 26.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . 29.3 tpt180 -44.34 -30.0 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.191 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -94.05 35.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.446 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 80.8 p -169.7 -163.55 0.39 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.046 0.451 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 28.2 m -96.9 165.89 11.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.948 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -59.81 -15.08 18.03 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.585 0.231 . . . . 0.0 110.485 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -40.48 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.784 0.326 . . . . 0.0 110.574 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.6 -42.08 64.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.979 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -66.69 -44.96 80.32 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.985 0.422 . . . . 0.0 110.083 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.979 ' H ' HD12 ' A' ' 25' ' ' LEU . 37.9 tt0 -54.33 -25.91 26.71 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.0 mm-40 -82.8 -52.72 6.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.969 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.6 mtt -88.93 -46.36 8.96 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.234 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 14.2 tp -52.6 -42.02 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.371 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 21.8 tp10 -64.06 -31.33 72.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.518 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 34' ' ' VAL . 23.6 mmtp -85.19 -36.49 20.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.067 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.9 tp -66.63 -21.57 66.12 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.843 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.981 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -85.94 -44.02 12.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.312 179.109 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 31' ' ' LYS . 32.9 m -68.6 -34.99 68.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.184 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.799 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 7.3 p -55.92 -50.29 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 8.1 p -80.62 -19.47 11.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.117 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 52.1 t30 -54.61 -41.77 70.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 94.8 mt-10 -73.45 -42.41 62.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.197 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.005 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.75 -48.28 66.87 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.475 0.655 . . . . 0.0 110.889 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.791 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.3 mmm180 -48.19 -44.45 32.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.714 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 12.4 pt-20 -84.4 -35.26 23.24 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.6 tp10 -77.27 -39.6 47.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 111.59 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.997 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 24.0 mm-40 -59.61 -47.36 85.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -34.82 68.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.84 -41.48 82.9 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.464 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.925 179.68 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.599 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 96.0 mt-10 . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -71.52 -27.38 63.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.816 0.817 . . . . 0.0 110.401 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.564 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.9 mm? -84.01 -41.98 16.68 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.417 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -85.06 -23.33 28.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.532 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.713 HG23 ' H ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -54.61 -60.63 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.53 -10.86 55.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.133 178.25 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 61.02 33.99 19.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.672 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 3.3 m120 61.65 127.24 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.573 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.783 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -58.25 -28.18 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.28 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.0 ptt180 -59.74 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.992 0.425 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 95.3 m -78.01 -38.24 45.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.072 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.641 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.2 tt -62.54 -52.83 61.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.307 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.948 ' HG3' HD21 ' A' ' 22' ' ' LEU . 43.3 ttt-85 -47.5 -31.51 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.352 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.75 -50.16 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 12.2 pt20 -62.42 -33.97 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.492 0.663 . . . . 0.0 109.837 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.73 -23.92 27.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.216 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.9 tpt180 -45.09 -31.57 1.43 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.013 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.2 29.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.419 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.2 p -165.12 -156.02 0.28 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.935 0.398 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.533 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.3 m -99.5 164.89 11.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.787 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.025 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.58 -14.09 11.94 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.542 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 16.7 pt-20 -40.04 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.468 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.1 t -52.29 -41.09 62.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.117 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.025 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -69.33 -45.14 70.19 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.151 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.935 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.8 tt0 -55.11 -25.12 29.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 24.3 tt0 -83.37 -54.03 5.29 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.193 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.06 -46.27 8.98 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 7' ' ' LEU . 43.9 tp -55.65 -39.23 70.62 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.561 ' O ' HG13 ' B' ' 34' ' ' VAL . 42.6 tt0 -65.17 -29.42 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.6 mmtp -87.43 -32.22 19.63 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.601 0.715 . . . . 0.0 109.737 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.981 HD11 ' HA ' ' A' ' 33' ' ' GLU . 40.9 tp -67.32 -23.63 65.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.764 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.122 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -85.64 -41.03 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.787 178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' B' ' 31' ' ' LYS . 24.7 m -68.36 -35.16 69.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.13 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.772 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.3 p -56.83 -49.63 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.3 p -81.13 -18.95 11.61 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.054 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 50.1 t30 -56.72 -42.9 80.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.585 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 57.0 mm-40 -69.89 -43.23 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.849 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.997 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.07 -50.99 51.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.494 0.664 . . . . 0.0 110.453 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' B' ' 36' ' ' VAL . 5.4 mmm180 -44.91 -43.39 8.88 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.311 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -79.96 -41.31 26.23 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 44.1 tp10 -77.88 -42.01 34.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.201 0.524 . . . . 0.0 111.661 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.005 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 13.0 mm-40 -54.84 -48.68 72.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -57.46 -35.45 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.06 -40.56 87.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.233 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.576 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.625 ' HB3' ' NH1' ' B' ' 40' ' ' ARG . 39.4 tt0 . . . . . 0 C--O 1.224 -0.286 0 CA-C-O 120.638 0.256 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' B' ' 40' ' ' ARG . . . -76.04 -25.98 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.853 0.835 . . . . 0.0 110.375 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -84.98 -40.35 17.02 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.372 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.31 -21.66 30.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.697 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.929 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.56 -49.25 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-O 121.88 0.848 . . . . 0.0 109.118 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.76 -10.88 22.47 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.946 179.368 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.9 31.43 11.48 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.757 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.579 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 60.04 126.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.69 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -56.03 -27.1 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.628 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 35.3 ptt180 -62.15 -53.37 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.3 m -70.25 -33.06 71.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.326 0.584 . . . . 0.0 110.218 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.853 HD21 HD22 ' B' ' 25' ' ' LEU . 6.8 tp -63.19 -56.4 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.809 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.2 tpt180 -45.05 -28.64 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.36 -49.81 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.482 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.65 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 8.4 pt20 -65.1 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 109.817 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.49 -19.01 30.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -43.25 -30.61 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.732 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -101.56 41.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.661 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' ALA . 46.7 t -172.64 171.7 4.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -73.21 175.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.494 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -72.72 -13.93 61.45 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.439 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 39.2 tt0 -39.83 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.0 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.71 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -51.53 -39.98 58.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.101 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.953 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -68.28 -44.0 76.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.026 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.953 ' H ' HD12 ' A' ' 25' ' ' LEU . 68.7 tt0 -54.2 -25.33 22.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 45.0 mm-40 -82.87 -54.54 5.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.782 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.538 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 21.4 mmt -89.3 -46.32 8.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.235 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.897 HD12 HD23 ' B' ' 32' ' ' LEU . 25.2 tp -56.16 -39.71 72.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.09 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' VAL . 40.9 tt0 -65.22 -29.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.443 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 62.9 mmtt -87.97 -37.77 16.11 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.748 0.785 . . . . 0.0 110.275 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.98 HD23 HD12 ' B' ' 29' ' ' LEU . 18.0 tp -61.35 -24.47 66.48 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.485 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.92 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -84.64 -29.02 26.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.075 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 30' ' ' GLU . 10.6 t -68.25 -44.17 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.789 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 17.4 m -51.61 -42.44 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.668 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -86.98 -20.46 7.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.407 177.144 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 11.9 t-20 -57.46 -41.02 79.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.647 ' HG3' ' HD2' ' A' ' 39' ' ' ARG . 10.7 pt-20 -82.87 -42.18 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.316 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.789 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.02 -56.36 7.16 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.627 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 16.6 mmm180 -45.66 -38.72 7.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.559 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.31 -42.9 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 67.5 mm-40 -84.46 -43.84 14.23 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.998 0.428 . . . . 0.0 112.014 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.093 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 5.1 tp10 -59.97 -48.7 80.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.16 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -53.73 -34.27 58.36 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.43 -43.54 76.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.364 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.12 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.7 tt0 . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 120.635 0.255 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.668 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -74.64 -22.86 58.69 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.969 0.89 . . . . 0.0 110.295 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -84.29 -44.98 13.31 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.154 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -81.11 -25.83 36.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.314 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.883 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.3 -61.4 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.85 -9.96 58.37 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.041 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 60.45 34.84 20.46 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.551 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 31.6 m-20 60.82 128.62 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.516 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.739 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -57.42 -27.86 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.711 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -56.84 -51.15 70.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.504 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.0 m -82.64 -37.42 24.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.519 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.658 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.1 tt -62.76 -56.79 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.776 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 30.7 ttt85 -44.0 -34.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.322 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.98 -48.55 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.331 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 6.3 pt20 -61.83 -36.8 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.739 0.78 . . . . 0.0 109.787 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.45 -22.12 26.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.9 tpt180 -46.19 -31.03 2.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.928 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.44 28.83 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.422 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -165.25 -157.76 0.35 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.285 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.4 p -92.94 166.65 12.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.381 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.92 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -63.05 -13.73 39.39 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.001 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.481 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.8 tp10 -38.96 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.622 0.248 . . . . 0.0 110.842 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.482 HG22 HD11 ' B' ' 13' ' ' LEU . 51.7 m -51.56 -43.4 62.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.947 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.3 pp -68.41 -44.46 74.97 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.239 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.947 ' N ' HD12 ' B' ' 25' ' ' LEU . 34.0 tt0 -56.44 -24.78 47.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.3 tp10 -83.49 -57.4 3.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.942 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.8 mtt -89.31 -45.17 9.7 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.98 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 tp -58.97 -29.42 67.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.683 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.565 ' O ' HG13 ' B' ' 34' ' ' VAL . 34.2 tt0 -71.35 -31.33 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 110.427 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.697 ' HA ' HG22 ' B' ' 34' ' ' VAL . 57.3 mmtt -86.34 -27.59 24.2 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.609 0.719 . . . . 0.0 109.595 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.934 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 18.9 tp -68.07 -26.05 65.65 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.659 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.979 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -84.19 -35.49 23.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.51 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.1 m -71.54 -37.85 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.236 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 36' ' ' VAL . 16.4 m -55.22 -48.01 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' B' ' 40' ' ' ARG . 5.9 p -82.45 -19.59 10.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.644 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 35.4 t30 -57.77 -37.97 74.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -74.54 -40.39 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.454 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.093 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -75.27 -48.03 25.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.281 0.562 . . . . 0.0 110.77 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.84 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.3 mmm-85 -46.01 -41.06 11.42 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.014 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -86.71 -45.5 10.9 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.9 mm-40 -87.78 -46.74 9.19 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.718 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 28.6 tp10 -62.57 -47.03 85.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -59.03 -32.62 69.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.71 -41.49 92.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.258 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.451 179.423 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.762 0.315 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.83 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.67 -20.82 58.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.895 0.855 . . . . 0.0 110.036 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.47 -45.05 11.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.222 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -80.54 -24.42 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.363 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.709 HG23 ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -53.33 -55.73 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.85 0.833 . . . . 0.0 109.283 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.932 HD13 HD21 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -7.44 48.2 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.577 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.448 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 m120 61.78 33.09 17.99 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.636 ' HB3' HH11 ' A' ' 11' ' ' ARG . 36.1 m-20 63.84 129.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.135 0.493 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' B' ' 30' ' ' GLU . 16.4 pt -55.81 -26.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.211 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.636 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.2 ptp85 -53.88 -54.16 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.452 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 13.1 t -88.41 -31.04 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.7 tm? -62.2 -53.85 49.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.672 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.903 ' HA ' HD11 ' B' ' 22' ' ' LEU . 22.4 ptt85 -53.24 -31.58 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.965 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.21 -50.88 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.597 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.4 pt20 -61.46 -33.64 74.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 109.769 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.21 -22.83 26.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.159 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.9 tpt85 -48.72 -31.81 7.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.721 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 16.4 pt-20 -58.67 -37.88 76.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -96.96 -137.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.843 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.9 m -123.81 -176.81 3.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.98 -16.75 33.01 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.061 0.458 . . . . 0.0 110.281 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.9 tt0 -43.53 -26.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.348 0.594 . . . . 0.0 110.109 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.68 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -57.96 -40.57 80.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.759 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.31 -45.25 66.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.492 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.949 ' H ' HD12 ' A' ' 25' ' ' LEU . 15.7 pt-20 -55.81 -22.93 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.2 tp10 -83.4 -55.48 4.29 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.638 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.26 -47.58 7.96 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.869 HD12 HD23 ' B' ' 32' ' ' LEU . 50.8 tp -55.08 -34.2 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.701 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.055 ' HB2' HD13 ' B' ' 10' ' ' ILE . 16.1 tp10 -66.63 -36.41 82.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 34' ' ' VAL . 57.0 mmtt -74.91 -25.45 58.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' B' ' 33' ' ' GLU . 18.2 tp -72.65 -29.44 63.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.892 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.052 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -84.45 -32.74 23.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.467 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.8 m -72.65 -40.83 62.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.293 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.766 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 11.5 m -52.95 -49.28 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.871 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.0 p -84.59 -18.44 9.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.802 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 21.8 t30 -56.82 -39.57 74.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.06 -40.5 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.796 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.928 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.94 -53.36 21.27 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.635 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.5 mmm180 -44.96 -42.4 8.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.43 -42.11 17.33 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 tp10 -84.23 -45.06 13.29 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.788 ' HG2' ' HG2' ' B' ' 43' ' ' GLU . 1.6 tm-20 -55.27 -49.92 70.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.265 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.8 m -57.68 -35.84 71.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -63.82 -41.04 97.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.062 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.691 179.515 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.642 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 54.4 mt-10 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.688 0.28 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.708 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -75.07 -32.49 61.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.513 1.149 . . . . 0.0 109.559 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.509 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.2 mt -86.01 -47.76 9.29 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 112.984 -1.916 . . . . 0.0 110.328 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -71.91 -29.17 64.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.058 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.891 HD12 ' HB2' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.35 -49.11 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.287 1.041 . . . . 0.0 108.707 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.1 -16.2 28.21 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.926 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' B' ' 4' ' ' LEU . 51.6 t-20 60.59 30.04 19.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.548 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.53 ' N ' ' HG ' ' B' ' 7' ' ' LEU . 25.0 m-20 63.11 125.81 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.642 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.055 HD13 ' HB2' ' A' ' 30' ' ' GLU . 20.7 pt -51.57 -27.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.45 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.5 ptm180 -59.08 -51.21 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -80.74 -37.02 31.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 110.723 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.6 tm? -62.24 -49.81 74.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.45 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.751 ' HA ' HD11 ' A' ' 22' ' ' LEU . 25.4 ttt85 -52.09 -34.49 44.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.716 0.294 . . . . 0.0 111.565 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.88 -50.1 8.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.593 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 11.9 pt20 -63.29 -33.16 74.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 109.901 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' B' ' 24' ' ' THR . . . -85.79 -22.74 27.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.654 ' NH1' HG21 ' A' ' 21' ' ' THR . 26.6 tpt180 -48.95 -29.68 5.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.331 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 -138.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.875 HG22 ' H ' ' B' ' 22' ' ' LEU . 2.1 m -118.76 -161.88 0.87 Allowed 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.109 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -69.95 -16.04 63.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.202 0.525 . . . . 0.0 109.764 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.764 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 89.1 tt0 -43.45 -25.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.446 0.641 . . . . 0.0 110.131 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.634 HG21 ' HB1' ' B' ' 17' ' ' ALA . 4.4 t -57.66 -40.12 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.507 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.109 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -69.92 -44.57 69.38 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.277 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 11.2 pt-20 -54.73 -22.57 14.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 79.7 tt0 -84.38 -54.96 4.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.29 -45.22 10.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.814 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.932 HD21 HD13 ' A' ' 7' ' ' LEU . 12.4 tp -60.32 -18.75 51.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.327 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.971 ' HB2' HD13 ' A' ' 10' ' ' ILE . 5.1 tp10 -82.37 -33.19 28.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.495 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.706 ' HA ' HG22 ' B' ' 34' ' ' VAL . 22.4 mmtp -86.13 -32.05 21.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.865 0.84 . . . . 0.0 109.479 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.052 HD11 ' HA ' ' A' ' 33' ' ' GLU . 10.3 tp -71.52 -22.87 61.72 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.296 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.884 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.38 -39.03 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.258 178.365 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.761 HG13 ' O ' ' B' ' 30' ' ' GLU . 32.3 m -65.51 -37.38 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.175 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.787 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 19.4 m -53.14 -45.45 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.83 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -81.52 -20.87 10.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.6 177.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 32.8 t30 -58.23 -35.16 71.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.23 -42.47 17.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.249 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.787 ' HD2' ' O ' ' B' ' 35' ' ' VAL . 0.0 OUTLIER -73.17 -55.11 6.91 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.238 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.696 HH21 HG12 ' A' ' 35' ' ' VAL . 22.4 mmt180 -43.95 -38.46 3.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -86.14 -42.86 13.52 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 17.7 tp10 -85.15 -46.5 11.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.928 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -52.99 -50.69 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.1 m -58.09 -35.91 72.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.92 -41.37 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.386 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.587 179.495 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.507 ' HB3' ' HG2' ' B' ' 40' ' ' ARG . 43.6 tp10 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.898 0.38 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.7 -20.82 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.974 0.892 . . . . 0.0 110.004 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.67 -44.36 12.64 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.154 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.686 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -82.42 -23.89 34.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.22 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.884 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -52.91 -56.48 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 CA-C-O 121.752 0.787 . . . . 0.0 109.29 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.804 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -7.65 46.62 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.595 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' HB ' ' A' ' 12' ' ' THR . 74.7 m-80 60.1 31.37 20.55 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.027 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 33.5 m-20 62.33 130.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.219 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.779 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.49 -26.09 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.716 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.3 ptt180 -61.67 -50.28 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.462 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.3 m -74.63 -40.45 61.5 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -62.98 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.829 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.9 tpt180 -46.27 -32.03 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.213 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.54 -49.9 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.648 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.3 pt20 -65.23 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 109.976 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.57 -19.33 29.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.617 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -41.87 -30.22 0.25 Allowed 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.064 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -109.26 46.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.578 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' ALA . 43.8 t -167.81 173.62 8.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 111.402 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.6 m -78.42 160.15 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.42 -15.25 35.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.535 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -40.54 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.841 0.353 . . . . 0.0 110.465 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.57 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.0 -43.16 63.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.785 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.81 -44.51 81.02 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.931 ' N ' HD12 ' A' ' 25' ' ' LEU . 32.1 tt0 -53.19 -26.97 19.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.3 tt0 -83.23 -50.4 8.45 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.012 178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -88.4 -48.99 7.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 111.834 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.898 HD12 HD23 ' B' ' 32' ' ' LEU . 40.9 tp -54.0 -39.79 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.017 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.679 ' O ' HG13 ' A' ' 34' ' ' VAL . 37.4 tt0 -62.88 -32.87 74.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.942 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.669 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 mmtp -86.48 -29.65 22.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.678 0.751 . . . . 0.0 109.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' B' ' 33' ' ' GLU . 13.5 tp -67.26 -25.75 66.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.812 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.969 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.5 pp20? -86.02 -39.1 17.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.979 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 30' ' ' GLU . 17.9 m -65.57 -36.42 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG21 HG21 ' B' ' 36' ' ' VAL . 14.3 m -55.95 -48.8 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -79.09 -20.34 12.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.523 178.11 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 46.6 t30 -55.44 -39.92 70.9 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -79.11 -42.64 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.444 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.871 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.66 -53.58 11.39 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.843 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.676 HH11 ' HA ' ' A' ' 40' ' ' ARG . 4.2 mmm180 -45.27 -39.44 6.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.12 -41.49 15.66 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.3 mm-40 -85.85 -46.05 10.99 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -54.68 -49.62 70.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -57.6 -36.1 71.31 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.57 -43.64 98.32 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.317 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.57 179.523 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.495 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 . . . . . 0 C--O 1.226 -0.148 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.581 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -77.22 -22.88 51.61 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.883 0.849 . . . . 0.0 110.287 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.616 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.6 mm? -84.95 -39.49 18.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.491 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.0 tptp -84.86 -25.58 27.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -55.09 -48.23 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.579 0.704 . . . . 0.0 109.762 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.871 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -99.93 -11.85 20.3 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.258 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.491 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 64.4 m-80 66.85 29.81 8.15 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.519 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 35.9 m-20 61.05 130.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.415 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.725 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -54.7 -26.35 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.696 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.519 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 34.1 ptt85 -62.4 -51.86 65.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.5 m -70.15 -36.8 74.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.702 HD11 HG21 ' B' ' 24' ' ' THR . 9.2 tp -64.91 -55.02 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.93 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' A' ' 22' ' ' LEU . 33.9 tpt85 -44.93 -27.99 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.88 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.334 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.62 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 8.0 pt20 -63.88 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 0.0 109.86 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -86.25 -19.25 30.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.4 ttt180 -43.0 -27.15 0.17 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.341 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' B' ' 17' ' ' ALA . 11.8 pt-20 -112.62 44.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.406 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.2 p -166.55 -170.44 1.62 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.043 0.449 . . . . 0.0 111.717 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.472 HG22 ' N ' ' B' ' 22' ' ' LEU . 45.7 m -92.02 159.4 15.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.175 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -62.28 -13.78 31.96 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.609 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.561 ' N ' HD23 ' B' ' 22' ' ' LEU . 39.3 tt0 -39.61 -25.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.716 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.702 HG21 HD11 ' B' ' 13' ' ' LEU . 4.9 t -53.05 -41.65 65.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.945 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -66.76 -45.09 79.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.923 0.392 . . . . 0.0 110.285 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.929 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.7 tt0 -56.47 -24.59 46.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.72 -57.37 3.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.937 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.666 ' SD ' HD22 ' B' ' 13' ' ' LEU . 22.1 ptp -89.89 -44.84 9.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.804 HD21 HD13 ' A' ' 7' ' ' LEU . 14.9 tp -58.8 -30.47 67.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.934 0.397 . . . . 0.0 110.192 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.764 ' O ' HG13 ' B' ' 34' ' ' VAL . 40.5 tt0 -69.75 -33.41 72.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.67 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.01 -28.07 24.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.609 0.719 . . . . 0.0 109.712 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.969 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.2 tp -67.85 -25.76 65.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.088 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -86.08 -34.39 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.471 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.764 HG13 ' O ' ' B' ' 30' ' ' GLU . 14.1 m -69.21 -36.99 75.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.63 HG21 HG21 ' A' ' 36' ' ' VAL . 9.9 m -55.85 -46.05 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -80.19 -27.58 11.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.474 -0.491 . . . . 0.0 109.994 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.566 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.8 t-20 -46.66 -41.24 14.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.26 -46.5 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.122 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -70.89 -59.18 2.94 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.299 0.571 . . . . 0.0 111.57 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 36' ' ' VAL . 28.9 tpt85 -44.46 -38.49 4.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.051 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.86 -45.95 10.38 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 88.9 tt0 -79.43 -39.43 32.36 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.871 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.5 tm-20 -55.12 -48.31 73.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.076 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -57.13 -36.62 70.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.57 -41.54 96.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.306 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.536 179.669 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 5.4 tp10 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.708 0.289 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.54 -24.72 33.9 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.653 0.74 . . . . 0.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.9 mm? -84.27 -34.7 23.75 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.645 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 18.8 tptm -85.03 -29.31 25.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.42 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.97 HG21 HD13 ' A' ' 32' ' ' LEU . 4.4 tt -55.03 -45.8 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.349 0.595 . . . . 0.0 110.272 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.052 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -104.98 -8.56 18.49 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.736 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 72.9 m-80 63.54 35.8 11.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.816 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.494 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 32.3 m-20 61.37 127.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.198 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.828 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -59.75 -53.67 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.551 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -68.12 -33.72 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.873 HD21 HD22 ' B' ' 25' ' ' LEU . 5.7 tp -62.1 -59.61 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.492 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.767 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.1 mtp180 -43.46 -29.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.282 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 -49.86 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.993 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.64 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.5 pt20 -67.42 -32.58 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.406 0.622 . . . . 0.0 110.259 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.33 -20.02 28.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.452 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 39.6 ttt85 -43.88 -28.01 0.4 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -108.38 40.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.599 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.9 m -164.29 -168.21 1.49 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.137 0.494 . . . . 0.0 111.57 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 22' ' ' LEU . 71.1 m -92.61 158.75 15.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.533 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.029 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -58.23 -14.0 6.26 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -40.59 -25.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 110.63 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.644 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -52.13 -38.57 57.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.029 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.97 -48.88 50.89 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 1.019 ' H ' HD12 ' A' ' 25' ' ' LEU . 12.6 pt-20 -55.8 -20.35 14.79 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.518 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.2 tt0 -82.99 -55.62 4.27 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.767 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 mmt -88.8 -45.37 9.81 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.636 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.985 HD12 HD23 ' B' ' 32' ' ' LEU . 19.6 tp -54.04 -38.93 65.73 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.045 ' HB2' HD13 ' B' ' 10' ' ' ILE . 33.4 tt0 -64.17 -33.64 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.36 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HA ' HG22 ' A' ' 34' ' ' VAL . 21.2 mmtp -86.08 -30.37 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.815 0.817 . . . . 0.0 109.625 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.117 HD11 ' HA ' ' B' ' 33' ' ' GLU . 24.3 tp -69.01 -24.51 64.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.934 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.967 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.5 pt-20 -86.19 -41.61 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.547 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 31' ' ' LYS . 21.6 m -63.86 -35.51 73.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.189 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.814 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 9.5 m -55.98 -50.39 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.15 -20.33 15.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.372 178.11 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' OD1' HD11 ' B' ' 4' ' ' LEU . 49.8 t30 -55.09 -40.95 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.92 -46.83 14.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.353 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -63.61 -51.81 63.63 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 22.1 mmm180 -50.94 -46.4 60.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.83 -36.82 73.07 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -82.32 -31.98 29.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.875 0.369 . . . . 0.0 111.805 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.1 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.9 mm-40 -67.64 -48.37 66.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -57.24 -31.98 66.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -71.63 -45.67 61.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.769 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 94.4 mt-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 120.574 0.226 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.758 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -70.64 -25.06 62.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.88 0.848 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -84.14 -45.9 12.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.529 -179.384 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.628 ' HD3' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -83.21 -21.47 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.744 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.928 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.63 -61.54 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.906 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.33 -10.07 59.63 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' B' ' 5' ' ' LYS . 50.7 t30 60.25 36.9 20.74 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.685 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.579 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 34.1 m-20 61.27 128.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.443 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.045 HD13 ' HB2' ' A' ' 30' ' ' GLU . 22.6 pt -59.05 -32.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.738 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.579 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.1 ptm180 -52.22 -50.04 62.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.5 m -79.99 -35.51 37.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.447 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.655 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.3 tt -63.85 -58.89 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.088 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.998 ' HA ' HD11 ' A' ' 22' ' ' LEU . 12.1 ptm180 -46.9 -29.71 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.59 0.234 . . . . 0.0 110.973 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.51 -50.21 10.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.542 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 6.8 pt20 -63.41 -35.61 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.787 0.803 . . . . 0.0 109.738 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.48 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -86.05 -20.87 28.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 55.4 ttt-85 -44.23 -30.74 0.84 Allowed 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.18 34.3 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.365 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 17' ' ' ALA . 54.8 m -162.48 -162.65 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.546 HG22 ' N ' ' B' ' 22' ' ' LEU . 31.3 m -96.34 165.27 12.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.878 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -56.69 -14.58 3.41 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.628 0.251 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -39.49 -29.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.834 0.349 . . . . 0.0 110.57 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -52.46 -43.71 65.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.315 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.921 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.3 pp -68.7 -44.83 73.12 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 38.9 tt0 -55.25 -23.04 20.64 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 28.0 tt0 -82.03 -52.41 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.5 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.703 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 23.8 mmt -89.47 -47.4 8.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.872 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 1.052 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.4 tp -56.37 -41.64 76.55 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.07 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' A' ' 10' ' ' ILE . 34.7 tt0 -63.14 -32.95 74.46 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.487 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.48 -31.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.665 0.745 . . . . 0.0 109.466 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.985 HD23 HD12 ' A' ' 29' ' ' LEU . 11.0 tp -68.31 -25.53 65.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.008 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.117 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.2 pt-20 -86.0 -46.34 10.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.165 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 31' ' ' LYS . 28.0 m -62.49 -33.73 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.804 HG22 HG11 ' A' ' 36' ' ' VAL . 7.7 p -58.75 -46.05 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.73 -20.45 12.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 121.184 0.516 . . . . 0.0 109.716 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.523 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.1 OUTLIER -55.21 -38.61 68.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.71 -40.77 24.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.248 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.1 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -71.92 -54.18 10.82 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.621 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 24.4 mmm180 -45.05 -40.57 6.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.27 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 24.8 pt-20 -85.67 -39.79 16.87 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 39.5 tt0 -84.82 -47.11 10.7 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.835 ' HG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -54.51 -49.73 69.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -59.03 -35.71 73.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.31 -41.45 98.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.295 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.579 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.612 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 54.9 mt-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 120.46 0.171 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.852 0.834 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -84.14 -44.36 14.08 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -80.49 -25.52 38.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.24 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 32' ' ' LEU . 3.9 tt -56.02 -46.2 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.445 0.64 . . . . 0.0 109.96 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.1 OUTLIER -105.29 -15.12 15.13 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.919 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 64.87 33.61 9.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 32.1 m-20 62.29 128.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.65 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.23 -27.29 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.369 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 36.6 ptt85 -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.2 m -80.9 -39.82 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 110.96 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.682 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.4 tm? -61.91 -50.24 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.635 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 1.06 ' HG3' HD21 ' B' ' 22' ' ' LEU . 45.7 ttt-85 -49.01 -37.6 20.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.66 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . . . -79.16 -49.61 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.5 pt20 -62.88 -25.04 68.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 0.0 109.884 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.29 -25.2 27.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.441 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 22.8 mmm180 -42.54 -32.96 0.61 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.547 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -80.11 24.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.607 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' ALA . 49.2 m -164.82 -155.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.006 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -102.72 -172.61 2.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.012 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -72.79 -14.88 61.62 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.7 tt0 -40.25 -27.97 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' HD21 ' A' ' 13' ' ' LEU . 5.0 t -53.02 -40.4 63.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.494 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.923 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -66.17 -43.77 85.96 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HA ' HG21 ' B' ' 10' ' ' ILE . 36.2 tt0 -56.12 -24.03 38.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 44.0 mm-40 -83.1 -54.58 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.914 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.1 mmt -89.6 -45.31 9.46 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.443 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 HD23 ' B' ' 32' ' ' LEU . 36.9 tp -58.02 -44.24 87.21 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 37.1 tt0 -59.2 -34.6 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.324 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.705 ' HA ' HG22 ' A' ' 34' ' ' VAL . 56.3 mmtt -86.22 -27.87 24.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.7 . . . . 0.0 109.728 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.9 tp -67.09 -25.81 66.4 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -86.15 -39.0 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.874 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -67.3 -35.24 73.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.4 p -56.27 -38.04 53.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.724 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -86.06 -32.39 6.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.594 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 50.1 t30 -43.27 -40.8 3.64 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.19 -45.02 12.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.114 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.065 ' HD3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.15 -58.7 3.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.446 0.641 . . . . 0.0 111.451 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -42.27 -39.21 2.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.865 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -83.93 -46.47 12.06 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 tp10 -78.5 -40.58 34.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.169 0.509 . . . . 0.0 111.818 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.065 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 10.9 tp10 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.57 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -57.88 -37.38 73.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.61 -39.9 95.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.976 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.609 179.355 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.681 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -76.55 -27.43 55.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.234 1.016 . . . . 0.0 110.375 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -77.31 -45.16 27.11 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.261 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.639 ' HD2' ' C ' ' B' ' 5' ' ' LYS . 0.7 OUTLIER -78.86 -34.69 44.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.888 HG21 HD13 ' B' ' 32' ' ' LEU . 3.6 tt -53.65 -41.13 45.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-O 122.293 1.044 . . . . 0.0 108.824 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.0 tt -87.94 -28.22 21.63 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.641 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 61.64 16.46 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.586 ' CA ' HD22 ' B' ' 7' ' ' LEU . 36.2 m-20 64.02 130.41 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 113.618 -1.628 . . . . 0.0 112.08 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.947 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.01 -29.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.63 -179.587 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.2 ptm85 -55.52 -46.31 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -85.44 -37.67 19.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.295 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.66 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 6.0 tt -62.68 -55.45 26.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.462 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.809 ' HG3' HD21 ' A' ' 22' ' ' LEU . 38.1 ttt85 -47.16 -30.27 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.403 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.86 -50.5 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.19 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.66 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.0 pt20 -63.08 -33.74 76.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.47 0.652 . . . . 0.0 109.924 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -85.93 -23.6 26.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.358 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -44.21 -31.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.015 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -84.62 29.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.384 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.412 ' N ' ' O ' ' B' ' 17' ' ' ALA . 19.3 t -164.8 -156.2 0.3 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.777 0.322 . . . . 0.0 111.26 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.54 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.9 m -101.31 166.07 10.94 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.06 HD21 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.24 -14.39 7.08 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.45 ' N ' HD23 ' B' ' 22' ' ' LEU . 24.6 pt-20 -40.14 -26.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.7 t -52.57 -42.8 64.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.972 HD21 HD12 ' B' ' 22' ' ' LEU . 1.2 pp -68.66 -42.98 77.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.94 ' N ' HD12 ' B' ' 25' ' ' LEU . 65.6 tt0 -53.97 -26.36 25.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.5 tp10 -83.21 -52.28 6.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.081 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.3 -46.32 8.84 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.708 HD12 HD23 ' A' ' 32' ' ' LEU . 21.6 tp -56.63 -37.42 70.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 84.3 tt0 -68.86 -32.05 71.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.776 ' HA ' HG22 ' B' ' 34' ' ' VAL . 68.0 mmtt -87.55 -32.0 19.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.406 0.622 . . . . 0.0 110.537 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 23.5 tp -68.71 -24.43 64.48 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.43 -38.55 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.01 178.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.2 m -71.95 -38.24 63.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.695 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 7.3 p -56.21 -49.52 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' B' ' 40' ' ' ARG . 12.4 p -79.13 -19.85 12.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.133 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 25.8 t30 -56.24 -42.23 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -74.93 -44.12 50.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.793 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.763 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.79 -27.59 66.02 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.567 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.846 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.2 mmm180 -67.8 -52.94 31.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.247 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.07 -39.97 94.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.086 0.469 . . . . 0.0 110.102 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -78.56 -20.76 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.498 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 5.1 tm-20 -63.83 -49.46 72.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.93 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -69.05 -34.14 74.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.491 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.202 -179.812 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.521 ' HG2' ' NE ' ' B' ' 40' ' ' ARG . 12.2 pt-20 . . . . . 0 C--O 1.224 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.594 ' C ' HG22 ' A' ' 6' ' ' ILE . . . -72.93 -24.35 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.905 0.859 . . . . 0.0 110.138 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -83.2 -43.11 16.5 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.25 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -84.07 -24.09 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.42 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.89 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.4 -53.0 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.799 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.53 -11.51 37.17 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.631 178.362 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 61.32 35.77 17.92 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.563 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 35.6 m-20 59.89 127.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.644 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.815 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.21 -29.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.417 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.7 ptm180 -60.56 -49.41 77.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -75.35 -38.71 59.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.646 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 6.0 tt -62.73 -53.75 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.669 ' HG3' HD21 ' B' ' 22' ' ' LEU . 38.4 ttt85 -46.49 -32.06 3.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.34 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.54 -49.94 8.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.322 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -64.57 -32.15 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 110.019 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.89 -24.25 26.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.233 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -42.66 -31.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -82.9 28.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.423 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' ALA . 22.4 t -167.55 -157.53 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.531 0.205 . . . . 0.0 110.959 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 p -98.38 -177.7 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.361 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.0 -14.56 63.11 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.019 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.5 pt-20 -40.32 -26.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.554 HG21 HD12 ' B' ' 22' ' ' LEU . 4.4 t -52.27 -43.28 64.31 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.8 -45.62 77.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 1.022 ' HG3' HD12 ' B' ' 10' ' ' ILE . 17.9 tt0 -52.0 -26.94 11.83 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 83.6 tt0 -83.31 -53.87 5.42 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.4 mtt -88.57 -44.33 10.73 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HG ' HD22 ' B' ' 7' ' ' LEU . 17.5 tp -54.26 -36.32 63.46 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.11 ' HB2' HD13 ' B' ' 10' ' ' ILE . 85.7 tt0 -68.5 -31.57 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.594 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.1 mmtp -86.2 -36.67 19.33 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.667 0.746 . . . . 0.0 109.965 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.06 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.0 tp -67.91 -22.07 65.1 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.821 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.012 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.0 pt-20 -86.18 -47.04 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.834 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' HA ' ' A' ' 31' ' ' LYS . 34.9 m -61.31 -34.81 62.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.159 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.738 HG22 HG21 ' B' ' 36' ' ' VAL . 13.4 p -56.52 -42.71 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.917 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.3 -36.97 30.85 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.469 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 35.1 t30 -42.68 -38.48 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -74.98 -41.66 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.985 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.945 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.28 -51.97 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.248 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 3.5 mmp_? -47.44 -37.54 11.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -86.72 -45.87 10.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -87.51 -44.63 11.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HG3' ' NH1' ' B' ' 39' ' ' ARG . 5.0 tp10 -61.34 -46.64 89.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.807 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -56.96 -34.58 68.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -64.4 -44.0 92.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.072 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.365 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.616 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 39.3 tt0 . . . . . 0 C--O 1.225 -0.212 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.917 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -75.95 -23.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.777 0.799 . . . . 0.0 110.869 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.3 mp -85.73 -44.55 12.44 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.014 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.648 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.1 tmtt? -80.38 -24.46 39.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.451 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.729 HG23 ' H ' ' B' ' 7' ' ' LEU . 4.2 tt -53.2 -56.44 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-O 121.744 0.783 . . . . 0.0 109.397 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.926 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -6.02 50.48 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.52 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 59.11 35.96 23.95 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.529 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 33.1 m-20 61.85 130.34 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.5 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.11 HD13 ' HB2' ' A' ' 30' ' ' GLU . 18.5 pt -55.9 -30.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.697 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -56.8 -51.04 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.94 0.4 . . . . 0.0 111.34 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.6 m -78.52 -37.97 41.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.272 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.673 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.5 tt -62.97 -54.96 30.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.713 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.935 ' HA ' HD11 ' A' ' 22' ' ' LEU . 6.9 ptm180 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.07 -51.78 7.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.229 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.656 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.1 pt20 -63.16 -31.86 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 109.928 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.77 -24.43 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.218 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.6 tpm_? -48.47 -34.13 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.234 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -61.43 -36.38 80.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -104.74 -143.64 0.37 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.762 HG22 ' H ' ' B' ' 22' ' ' LEU . 7.4 m -109.84 178.26 4.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.863 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.48 -14.89 32.65 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.745 0.307 . . . . 0.0 110.219 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.695 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 17.5 tp10 -39.76 -28.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.53 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.467 HG22 HD11 ' B' ' 13' ' ' LEU . 75.1 m -51.45 -43.18 62.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.616 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.906 HD12 ' H ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -65.06 -43.71 91.37 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.078 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.906 ' H ' HD12 ' B' ' 25' ' ' LEU . 78.3 tt0 -56.76 -24.12 47.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.695 ' HG3' ' O ' ' B' ' 23' ' ' GLU . 25.7 mt-10 -83.38 -53.96 5.33 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' B' ' 28' ' ' MET . 13.0 mmt -89.38 -45.19 9.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 32' ' ' LEU . 27.9 tp -58.74 -42.03 87.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.029 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.429 ' O ' HG13 ' B' ' 34' ' ' VAL . 84.8 tt0 -61.82 -31.57 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.07 0.462 . . . . 0.0 111.017 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.5 mmtp -87.49 -28.79 21.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.51 0.672 . . . . 0.0 109.628 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.012 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 39.5 tp -67.07 -24.53 65.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.922 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.06 ' HA ' HD11 ' A' ' 32' ' ' LEU . 4.3 pt-20 -85.12 -40.99 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.792 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' B' ' 31' ' ' LYS . 21.6 m -68.83 -35.25 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.327 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.689 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.5 p -59.7 -50.44 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.911 ' HB ' HG22 ' A' ' 36' ' ' VAL . 14.8 p -78.72 -19.61 13.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.957 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 41.8 t30 -58.38 -51.81 68.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 109.697 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.12 -42.39 94.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.147 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.713 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.83 -29.22 63.06 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.579 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.899 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.2 mmm180 -67.04 -41.01 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.188 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -79.36 -30.69 42.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.814 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 51.3 mt-10 -87.21 -39.43 15.47 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.945 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 23.8 mm-40 -66.29 -47.76 72.57 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.003 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.4 m -53.95 -30.46 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -74.59 -45.39 45.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.456 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.091 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.746 179.772 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.669 ' HA ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 111.425 0.157 . . . . 0.0 111.425 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -76.27 -21.02 56.81 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.822 0.82 . . . . 0.0 109.783 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.4 mm? -85.56 -44.16 12.9 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.458 -1.247 . . . . 0.0 110.09 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.669 ' HG3' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -83.33 -20.0 35.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.578 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.96 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.96 -59.61 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -85.24 -10.16 56.89 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.179 -1.373 . . . . 0.0 107.3 177.833 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER 62.89 37.44 12.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.505 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 42.9 m-20 60.29 125.47 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.382 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.737 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.88 -34.42 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.09 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.2 ptm180 -57.06 -52.89 63.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 90.8 m -73.66 -38.4 64.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.627 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.4 tt -58.26 -56.45 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.271 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.655 ' HG2' HD21 ' B' ' 22' ' ' LEU . 78.5 mtp180 -44.24 -32.4 1.26 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.865 0.365 . . . . 0.0 110.624 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 -46.55 22.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 12' ' ' THR . 21.6 mt-30 -63.46 -37.46 87.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.826 0.822 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.53 -18.84 30.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.682 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 79.9 ttt180 -42.2 -31.41 0.38 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.14 0.495 . . . . 0.0 110.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.77 42.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.443 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ALA . 44.0 t -172.84 172.7 4.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 22' ' ' LEU . 57.7 m -75.43 161.83 28.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.058 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.07 -13.69 5.26 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.397 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -39.82 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 13' ' ' LEU . 98.1 m -51.37 -44.12 62.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.15 -43.27 87.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.689 178.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 1.021 ' HG2' HD12 ' B' ' 10' ' ' ILE . 3.4 tm-20 -54.12 -27.56 34.0 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 tp10 -83.65 -53.61 5.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.429 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.645 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 23.9 mmt -88.43 -45.94 9.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 61.2 tp -59.32 -25.96 64.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.873 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.013 ' HB2' HD13 ' B' ' 10' ' ' ILE . 39.4 tp10 -76.66 -31.06 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.031 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 34' ' ' VAL . 49.6 mmtt -86.2 -31.75 21.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.686 0.755 . . . . 0.0 109.525 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.042 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.3 tp -69.41 -24.17 63.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.038 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -85.4 -38.2 18.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.0 m -71.35 -36.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.147 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.615 HG22 HG11 ' B' ' 36' ' ' VAL . 7.4 p -56.21 -48.84 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.734 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -79.28 -27.92 13.25 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.683 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 33.1 t-20 -43.96 -43.79 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.47 -40.73 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.255 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.81 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -70.03 -56.87 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.19 178.524 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.734 ' HG2' HG22 ' A' ' 36' ' ' VAL . 19.6 mmt180 -44.9 -35.89 3.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.38 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -86.57 -53.51 4.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 34.0 mp0 -86.32 -40.79 15.11 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.121 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 4.4 tp10 -59.74 -47.55 85.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -54.79 -34.29 62.49 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.95 -41.52 82.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.111 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.638 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 40' ' ' ARG . 42.8 tp10 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.713 0.292 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.539 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -79.98 -21.71 43.36 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.83 0.824 . . . . 0.0 110.338 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.588 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -85.4 -39.92 17.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.749 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.2 tmtp? -82.58 -28.56 30.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.288 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.694 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.42 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.549 0.69 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.678 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -88.29 -13.09 41.71 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.992 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m120 61.04 34.36 19.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 35.8 m-20 61.15 126.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.774 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.021 HD12 ' HG2' ' A' ' 26' ' ' GLU . 8.0 pt -59.76 -32.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.201 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.7 ptp85 -57.06 -50.91 71.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.7 m -72.9 -32.64 65.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 110.556 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 25' ' ' LEU . 4.7 tp -63.13 -59.54 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.293 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.626 ' HD2' ' HG3' ' A' ' 26' ' ' GLU . 13.2 mtp-105 -46.51 -25.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.703 0.287 . . . . 0.0 111.011 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.26 -51.57 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.041 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.628 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 9.3 pt20 -64.12 -35.3 80.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 0.0 109.726 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -85.82 -19.57 30.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 80.0 ttt180 -44.38 -29.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -101.85 36.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.458 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' ALA . 68.8 m -165.58 -166.3 0.95 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.958 0.408 . . . . 0.0 111.464 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.485 HG22 ' H ' ' B' ' 23' ' ' GLU . 57.6 m -92.6 159.56 15.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.043 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.97 -13.04 21.65 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.283 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.485 ' H ' HG22 ' B' ' 21' ' ' THR . 42.9 tt0 -39.77 -24.69 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.807 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.598 HG21 ' CD1' ' B' ' 13' ' ' LEU . 99.2 m -51.6 -40.33 59.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.043 HD21 HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -67.33 -42.96 82.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.985 0.422 . . . . 0.0 109.88 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.911 ' H ' HD12 ' B' ' 25' ' ' LEU . 5.7 tm-20 -57.49 -24.17 54.33 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 19.6 tt0 -83.48 -57.73 3.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.159 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.7 mtt -89.75 -44.27 10.11 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.998 HD12 HD23 ' A' ' 32' ' ' LEU . 55.7 tp -61.84 -28.4 69.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.662 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.9 tt0 -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.906 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.66 ' O ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -86.59 -32.37 20.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.929 0.871 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.038 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.6 tp -63.7 -25.21 68.1 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.629 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.042 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.0 pt-20 -85.33 -38.53 18.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.577 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 30' ' ' GLU . 15.3 m -65.69 -33.78 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.82 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 35.5 m -56.59 -45.57 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.675 ' HB ' ' HG2' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -83.51 -20.33 9.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.836 178.492 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.489 ' OD1' HD11 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.5 -35.86 70.78 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -81.43 -40.17 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.716 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.121 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -77.4 -49.75 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.693 -179.573 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.675 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 21.7 mmm180 -44.7 -39.09 4.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.07 -45.28 11.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.32 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.65 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.7 tt0 -88.04 -46.81 9.02 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 7.6 tp10 -60.95 -45.93 92.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.099 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -55.32 -35.54 65.25 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.53 -41.8 92.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.725 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.132 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.265 179.213 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 65.7 mm-40 . . . . . 0 C--O 1.217 -0.61 0 CA-C-O 120.429 0.157 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -68.14 -26.2 65.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.907 0.86 . . . . 0.0 110.38 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -85.13 -46.87 10.7 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.742 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -80.32 -23.37 40.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.89 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 32' ' ' LEU . 7.3 tt -54.88 -52.03 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-O 121.994 0.902 . . . . 0.0 110.148 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.954 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -99.84 -10.37 21.85 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.052 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.473 HD21 ' C ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER 64.87 31.07 11.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.378 -179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 29.5 m-20 61.76 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.504 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.784 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.12 -30.5 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.699 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.492 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -53.45 -44.83 69.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.416 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -88.09 -38.75 15.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.508 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.777 HD13 HD21 ' B' ' 29' ' ' LEU . 6.4 tt -66.19 -56.67 10.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.943 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.825 ' HA ' HD11 ' B' ' 22' ' ' LEU . 52.0 ttt-85 -45.47 -31.01 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.829 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.38 -52.88 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.656 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 9.4 pt20 -61.35 -34.87 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.378 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.6 -20.91 27.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.931 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 52.4 ttt-85 -51.0 -33.4 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.673 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.5 pt-20 -65.16 -33.69 76.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -98.03 -146.28 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.49 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 29.9 m -109.25 165.58 11.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.91 -15.77 14.41 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.528 0.204 . . . . 0.0 110.478 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -41.06 -27.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.56 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -53.11 -43.1 66.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.17 178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.976 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.1 pp -66.45 -45.82 78.5 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.976 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.0 tm-20 -54.81 -26.79 37.26 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.0 tt0 -81.21 -53.61 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.935 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.7 mtt -89.44 -47.08 8.24 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.004 HD12 HD23 ' B' ' 32' ' ' LEU . 19.2 tp -54.46 -41.35 69.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.844 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 33.8 tt0 -61.49 -30.46 70.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.7 mmtp -86.52 -30.78 21.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.871 0.843 . . . . 0.0 109.465 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.3 tp -68.28 -24.81 64.91 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.308 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.047 ' HA ' HD11 ' B' ' 32' ' ' LEU . 19.5 pt-20 -86.3 -43.47 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.804 HG22 ' HA ' ' A' ' 31' ' ' LYS . 30.5 m -63.98 -34.03 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.487 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.83 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 6.7 m -55.94 -51.79 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -74.98 -20.52 16.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.469 178.244 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 29.2 t-20 -54.26 -38.45 65.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.641 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 57.1 mm-40 -82.71 -42.81 17.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.329 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.035 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.65 -54.23 14.89 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.754 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 2.9 mmp_? -46.15 -41.27 12.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -83.84 -36.46 23.44 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 38.3 tt0 -80.64 -43.7 20.04 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 111.626 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.096 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.1 mm-40 -57.39 -47.5 81.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -56.17 -34.45 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.02 -41.47 77.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.4 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.125 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.898 179.628 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.6 tt0 . . . . . 0 C--O 1.227 -0.111 0 CA-C-O 120.669 0.271 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.647 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -86.56 -21.98 26.57 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.984 0.897 . . . . 0.0 109.939 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.1 mt -84.37 -42.42 15.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.079 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.673 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.0 tmtt? -84.75 -23.88 29.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.248 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.955 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.15 -53.3 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.805 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.59 -8.92 39.81 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.772 178.301 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.2 m120 64.17 25.16 13.6 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.622 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 71.3 m-80 61.39 125.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.646 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -46.67 -31.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.156 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.487 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.5 ptm85 -56.75 -50.18 73.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.948 0.404 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 92.6 m -79.67 -37.04 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.409 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.644 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.4 tt -61.45 -55.31 32.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.576 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 78.0 mtp180 -45.46 -34.09 3.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.69 -50.65 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.951 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.566 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 0.1 OUTLIER -66.35 -29.89 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.418 0.627 . . . . 0.0 110.309 -179.588 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.09 -24.08 24.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.281 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' NE ' ' B' ' 18' ' ' ARG . 1.8 tpm_? -42.19 -32.66 0.51 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.408 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.78 33.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.608 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 17' ' ' ALA . 50.2 m -163.37 -160.78 0.62 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.891 0.377 . . . . 0.0 111.578 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.558 HG22 ' N ' ' B' ' 22' ' ' LEU . 28.5 m -100.57 167.83 10.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.925 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -58.67 -15.15 10.51 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.623 0.249 . . . . 0.0 110.397 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 27' ' ' GLU . 24.6 pt-20 -40.58 -27.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.346 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.511 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -51.64 -42.6 62.18 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.929 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.971 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.1 pp -67.22 -45.96 75.24 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.971 ' H ' HD12 ' B' ' 25' ' ' LEU . 3.9 tm-20 -53.35 -25.49 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 4.9 mm-40 -81.87 -55.16 4.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.908 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 59.7 mtt -88.97 -46.16 9.1 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.089 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.954 ' HG ' HD22 ' A' ' 7' ' ' LEU . 53.8 tp -54.74 -32.98 60.55 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.663 ' O ' HG13 ' B' ' 34' ' ' VAL . 85.5 tt0 -71.46 -32.5 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 111.213 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.673 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.4 mmtp -87.13 -33.67 19.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.901 0.858 . . . . 0.0 110.006 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.047 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -67.17 -23.38 65.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.85 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.008 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.4 pt-20 -86.03 -44.43 12.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.576 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.4 m -60.41 -35.93 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.835 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 15.2 m -55.29 -51.05 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -76.07 -20.61 15.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.579 178.202 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.463 ' OD1' HD11 ' A' ' 4' ' ' LEU . 29.9 t30 -56.39 -36.96 69.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.629 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 55.9 mt-10 -83.55 -44.21 14.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.096 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.48 -50.96 40.41 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.745 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 2.9 mmp_? -47.08 -42.23 18.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.608 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 12.5 pt-20 -82.9 -37.36 24.35 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.1 mm-40 -77.27 -38.79 50.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.966 0.413 . . . . 0.0 111.53 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.035 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 12.6 mm-40 -59.11 -47.39 85.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -56.39 -33.93 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.95 -41.62 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.492 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.834 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.57 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.9 tp10 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.728 0.299 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -77.87 -20.83 52.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.879 0.847 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -84.0 -43.37 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.779 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -84.79 -22.54 29.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.5 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 32' ' ' LEU . 4.3 tt -54.43 -46.26 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.36 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.15 -10.77 16.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.3 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 63.05 33.46 14.66 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.898 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 23.6 m-20 60.43 127.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.41 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.89 -30.24 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.115 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 14.5 ptp180 -53.06 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.2 m -84.55 -36.0 22.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.528 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.675 ' C ' HD23 ' A' ' 13' ' ' LEU . 6.0 tt -64.81 -55.93 16.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.994 ' HA ' HD11 ' B' ' 22' ' ' LEU . 11.7 ptm180 -44.41 -34.43 2.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.528 0.204 . . . . 0.0 111.345 -178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.73 9.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.236 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.606 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.1 pt20 -60.72 -35.42 76.29 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.697 0.76 . . . . 0.0 109.505 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.43 -21.64 26.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.729 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 3.5 tmt_? -51.22 -32.02 22.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -62.6 -36.08 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.7 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -104.12 -144.54 0.37 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.506 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 22' ' ' LEU . 27.6 m -105.77 166.96 10.1 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.031 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -59.2 -14.6 11.24 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 89.1 tt0 -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.769 0.319 . . . . 0.0 110.461 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 5.4 t -51.81 -42.78 62.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.059 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.34 -43.06 82.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 36.0 tt0 -54.38 -25.31 23.69 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 4.5 mm-40 -83.29 -52.87 6.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.808 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.42 -46.65 8.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.217 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.84 HD12 HD23 ' B' ' 32' ' ' LEU . 31.5 tp -56.67 -34.54 67.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 34' ' ' VAL . 40.0 tt0 -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.0 111.566 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.69 ' HA ' HG22 ' A' ' 34' ' ' VAL . 28.7 mmtp -87.08 -28.63 22.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.641 0.734 . . . . 0.0 110.046 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.113 HD11 ' HA ' ' B' ' 33' ' ' GLU . 35.4 tp -69.85 -25.55 63.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.691 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.76 -32.44 23.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.515 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' A' ' 31' ' ' LYS . 18.2 m -74.51 -38.43 46.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.4 m -54.38 -47.09 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.879 HG22 ' HG2' ' A' ' 40' ' ' ARG . 11.8 p -85.4 -19.35 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.729 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 22.8 t30 -55.33 -38.6 68.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.15 -40.65 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.709 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.956 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.2 -53.18 18.18 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.753 179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.879 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.0 mmt180 -45.04 -41.61 7.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.704 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -87.1 -44.56 11.44 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.4 tt0 -82.06 -40.86 21.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 10.2 tm-20 -56.89 -47.69 79.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -35.68 61.92 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.44 -41.73 88.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.025 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.621 179.275 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 39.0 tt0 . . . . . 0 C--O 1.226 -0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.678 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -73.89 -24.21 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.219 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -83.44 -44.15 15.07 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.955 -179.317 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -82.24 -24.31 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.885 HG21 HD13 ' B' ' 32' ' ' LEU . 3.9 tt -54.36 -45.58 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-O 121.679 0.752 . . . . 0.0 109.407 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.1 -13.75 15.63 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.228 179.473 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 65.93 32.58 8.44 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.836 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.506 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 25.5 m-20 60.02 128.45 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.196 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.707 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -52.63 -29.12 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.757 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.485 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.0 ptp180 -55.58 -49.48 72.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 89.9 m -86.47 -38.22 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.639 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.5 tm? -61.24 -52.05 66.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.967 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.866 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.0 ttt-85 -48.63 -36.4 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.517 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' B' ' 18' ' ' ARG . . . -83.37 -48.64 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 14.6 pt20 -60.21 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.426 0.632 . . . . 0.0 109.924 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.24 -24.35 27.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.524 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.755 ' HG2' ' O ' ' B' ' 14' ' ' ARG . 2.4 mmm180 -42.91 -32.29 0.61 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.15 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -81.41 28.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.0 p -167.29 -156.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.484 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.536 HG22 ' N ' ' B' ' 22' ' ' LEU . 35.1 m -102.65 165.39 11.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.509 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.994 HD11 ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.66 -14.75 9.18 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.479 ' N ' HD23 ' B' ' 22' ' ' LEU . 89.0 tt0 -40.69 -26.29 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 110.494 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.54 ' OG1' HD21 ' B' ' 13' ' ' LEU . 5.7 t -52.75 -40.62 63.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.949 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -67.95 -42.3 81.14 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.156 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.93 ' H ' HD12 ' B' ' 25' ' ' LEU . 71.0 tt0 -57.42 -23.97 52.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 80.4 tt0 -84.23 -55.83 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.911 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 60.9 mtt -90.03 -45.34 9.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 32' ' ' LEU . 50.8 tp -63.35 -23.28 67.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.6 ' O ' HG13 ' B' ' 34' ' ' VAL . 30.6 tt0 -77.93 -33.91 51.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.036 0.446 . . . . 0.0 111.18 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.4 mmtp -86.37 -30.13 22.4 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.936 0.874 . . . . 0.0 109.237 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 37.2 tp -66.17 -24.95 66.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.76 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.113 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.6 pt-20 -85.58 -38.14 18.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.555 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.9 m -67.77 -34.89 70.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.155 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.668 HG22 ' O ' ' B' ' 32' ' ' LEU . 31.2 m -55.63 -42.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -85.16 -26.57 6.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.229 178.006 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 38.3 t30 -47.81 -39.09 17.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 20.2 pt-20 -87.99 -45.14 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.474 177.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.967 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.32 -57.25 4.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 111.261 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.668 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.5 tpp180 -48.29 -32.77 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -85.78 -45.36 11.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 96.1 mt-10 -80.22 -38.84 30.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.096 0.474 . . . . 0.0 112.022 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.956 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 24.5 mm-40 -59.74 -46.3 89.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -54.66 -33.31 60.55 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -70.98 -44.41 66.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.514 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.076 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.669 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.576 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.8 tt0 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -81.03 -27.8 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.567 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.553 HD21 ' OD1' ' B' ' 37' ' ' ASN . 2.2 mm? -82.73 -34.28 27.26 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.703 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.6 tmtt? -85.91 -27.68 24.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.972 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 3.7 tt -52.97 -46.34 53.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.462 0.648 . . . . 0.0 109.504 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.982 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -105.26 -6.92 19.29 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.241 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 12' ' ' THR . 11.7 t-20 60.57 31.48 20.24 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.466 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.631 ' HB3' HH11 ' A' ' 11' ' ' ARG . 31.9 m-20 63.52 130.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.57 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.855 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -23.36 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.206 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.631 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.4 ptp85 -56.82 -53.68 55.03 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 13.1 t -74.41 -30.25 61.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.462 . . . . 0.0 110.451 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 HD22 ' B' ' 25' ' ' LEU . 6.7 tp -61.87 -53.66 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.89 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.567 HH12 ' HD3' ' A' ' 18' ' ' ARG . 29.6 tpt85 -47.79 -28.48 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.69 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.22 -51.4 5.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.536 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 3.4 pt20 -63.46 -33.75 76.24 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.438 0.637 . . . . 0.0 110.219 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -86.2 -20.48 28.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.412 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD3' HH12 ' A' ' 14' ' ' ARG . 11.7 tpt180 -44.26 -29.31 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.06 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -105.18 40.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.321 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -160.95 -146.23 0.13 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.666 0.27 . . . . 0.0 111.358 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 22' ' ' LEU . 39.5 m -126.41 162.66 25.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.955 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -56.2 -15.01 3.18 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 120.624 0.249 . . . . 0.0 110.888 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -40.22 -27.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 13' ' ' LEU . 5.5 t -56.55 -42.46 78.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.522 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.955 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.04 -42.36 84.97 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 120.929 0.395 . . . . 0.0 110.045 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.917 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.31 -26.35 51.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.5 tt0 -83.95 -51.84 6.82 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.996 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.5 mmt -89.52 -48.55 7.24 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.831 HD12 HD23 ' B' ' 32' ' ' LEU . 62.0 tp -60.72 -25.68 66.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.444 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 3.3 tp10 -77.29 -32.76 55.67 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.974 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.2 mmtp -87.02 -31.45 20.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.703 0.763 . . . . 0.0 109.752 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.055 HD11 ' HA ' ' B' ' 33' ' ' GLU . 42.8 tp -67.07 -24.57 65.98 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.551 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.056 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -86.88 -42.25 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.953 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.0 m -65.27 -34.38 70.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.717 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 8.1 p -56.56 -50.41 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -73.67 -30.36 28.99 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.331 177.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' OD1' HD21 ' B' ' 4' ' ' LEU . 29.5 t30 -48.12 -41.19 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.62 -34.94 77.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.133 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.105 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -76.11 -46.72 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.492 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.707 ' HD3' ' HB3' ' B' ' 2' ' ' GLU . 8.5 mmp_? -51.2 -37.1 44.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.58 -46.17 9.79 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.297 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -88.18 -45.13 10.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.963 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.1 tm-20 -53.81 -48.16 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -59.74 -36.74 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -61.01 -42.09 97.8 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.175 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 CA--C 1.521 -0.15 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.246 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.707 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 89.1 tt0 . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.555 0.217 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.02 -28.27 39.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.743 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.562 ' N ' HD22 ' B' ' 4' ' ' LEU . 2.2 mm? -84.14 -35.77 23.38 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.9 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -81.02 -30.75 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.413 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.893 HG21 HD13 ' B' ' 32' ' ' LEU . 3.1 tt -54.65 -41.29 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 121.8 0.81 . . . . 0.0 109.646 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -104.21 -19.27 14.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.092 -1.413 . . . . 0.0 110.061 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.492 ' O ' ' ND2' ' B' ' 8' ' ' ASN . 0.3 OUTLIER 64.92 30.09 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.277 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.603 ' N ' ' HG ' ' B' ' 7' ' ' LEU . 22.6 m-20 62.44 127.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.511 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.764 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -56.8 -27.79 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.453 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.528 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.4 ptm180 -55.48 -52.1 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 97.3 m -73.57 -33.63 64.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 25' ' ' LEU . 5.4 tp -62.15 -59.23 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.386 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.867 ' HG3' HD21 ' A' ' 22' ' ' LEU . 35.0 ttt-85 -46.02 -25.73 0.61 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.29 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.05 -50.48 6.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.944 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.8 pt20 -64.34 -34.93 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.063 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.603 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -86.44 -19.84 29.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.378 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -42.49 -30.15 0.33 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -105.6 42.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.307 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.42 ' N ' ' O ' ' B' ' 17' ' ' ALA . 79.8 p -169.27 -171.17 1.22 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 111.525 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.589 HG22 ' H ' ' B' ' 23' ' ' GLU . 55.9 m -86.77 155.89 20.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.048 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -63.16 -13.24 34.71 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.539 179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.589 ' H ' HG22 ' B' ' 21' ' ' THR . 12.5 pt-20 -39.26 -24.89 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.938 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.61 HG21 HD13 ' B' ' 13' ' ' LEU . 93.8 m -50.55 -41.24 53.83 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.048 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.046 0.451 . . . . 0.0 109.946 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.933 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.3 tt0 -55.61 -24.9 35.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 34.6 tt0 -83.71 -53.78 5.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.931 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.8 mtt -89.75 -46.03 8.88 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.982 ' HG ' HD22 ' A' ' 7' ' ' LEU . 59.9 tp -58.21 -36.77 73.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.0 tt0 -67.55 -34.56 77.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.562 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' B' ' 34' ' ' VAL . 59.0 mmtt -86.82 -29.5 22.21 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 121.811 0.815 . . . . 0.0 109.628 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.056 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.5 tp -68.64 -24.35 64.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.505 -1.225 . . . . 0.0 109.894 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.055 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -85.93 -43.71 12.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.0 m -64.69 -34.27 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.84 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 32' ' ' LEU . 14.9 p -56.46 -49.84 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -74.29 -35.56 40.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.054 177.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.553 ' OD1' HD21 ' A' ' 4' ' ' LEU . 28.0 t30 -42.88 -41.07 3.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -69.22 -40.18 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.963 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -74.53 -47.7 31.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.598 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmm180 -47.68 -39.52 17.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -87.46 -44.33 11.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.618 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 66.9 mm-40 -87.14 -45.19 10.91 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.105 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -53.21 -50.14 65.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -58.54 -37.27 75.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -61.31 -41.37 96.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.379 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.172 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.617 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 37.8 tt0 . . . . . 0 C--O 1.226 -0.164 0 CA-C-O 120.618 0.247 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.48 -20.92 58.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.991 0.901 . . . . 0.0 110.068 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD11 ' ND2' ' B' ' 37' ' ' ASN . 0.7 OUTLIER -84.64 -46.2 11.74 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.794 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.3 -24.14 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.794 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -54.3 -45.94 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 121.628 0.727 . . . . 0.0 109.275 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.04 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -105.11 -9.76 17.58 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.471 -1.24 . . . . 0.0 108.988 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.9 35.4 16.38 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 23.0 m-20 59.46 127.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.066 HD13 ' HB2' ' B' ' 30' ' ' GLU . 24.5 pt -53.14 -23.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.884 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -63.8 -51.32 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 95.8 m -73.84 -38.52 64.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.64 ' C ' HD23 ' A' ' 13' ' ' LEU . 6.0 tt -63.37 -50.27 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' B' ' 22' ' ' LEU . 12.6 tpt180 -44.27 -35.06 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 -47.61 10.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.352 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.605 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.3 pt20 -63.85 -34.72 78.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 109.801 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.38 -21.35 27.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -45.33 -30.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.962 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -90.3 32.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.478 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ALA . 83.8 p -165.59 -159.56 0.42 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 111.306 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -101.39 -174.25 2.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.585 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.989 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -70.76 -14.57 62.48 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.912 179.575 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' HH12 ' B' ' 14' ' ' ARG . 2.1 pp20? -40.43 -27.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.512 HG23 ' CD2' ' B' ' 25' ' ' LEU . 4.9 t -55.59 -42.07 74.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.27 -42.28 84.12 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.925 ' N ' HD12 ' A' ' 25' ' ' LEU . 27.3 tt0 -54.55 -26.62 33.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.2 tt0 -83.54 -49.99 8.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.047 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.26 -47.85 7.77 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.948 ' HG ' HD22 ' B' ' 7' ' ' LEU . 34.5 tp -56.42 -38.95 72.25 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.78 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 34' ' ' VAL . 33.9 tt0 -65.6 -34.97 79.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.777 ' HA ' HG22 ' A' ' 34' ' ' VAL . 29.4 mmtp -86.64 -26.81 24.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.594 0.711 . . . . 0.0 110.26 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' B' ' 33' ' ' GLU . 14.3 tp -70.43 -26.22 63.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.483 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.043 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.5 pt-20 -84.58 -34.39 23.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.62 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.5 m -72.99 -38.95 57.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.293 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.751 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 16.4 m -54.15 -46.36 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.874 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.6 p -86.45 -18.77 8.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.767 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' B' ' 4' ' ' LEU . 29.5 t-20 -55.54 -42.88 75.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' HE ' ' A' ' 39' ' ' ARG . 10.3 pt-20 -73.91 -39.15 64.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.168 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.842 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.66 -54.76 12.36 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 121.704 0.764 . . . . 0.0 109.776 178.406 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.874 ' HG2' HG22 ' A' ' 36' ' ' VAL . 7.2 mmm180 -43.49 -40.47 3.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.801 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -83.98 -47.22 11.22 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 50.5 mt-10 -82.82 -42.02 18.37 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 112.092 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.901 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 23.7 tp10 -56.04 -48.47 75.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.0 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -55.5 -35.49 65.64 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.86 -40.99 83.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.85 179.647 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 . . . . . 0 C--O 1.226 -0.183 0 CA-C-O 120.557 0.217 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -78.08 -26.88 48.36 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.749 0.785 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.634 HD11 ' ND2' ' A' ' 37' ' ' ASN . 1.8 mm? -84.2 -38.13 20.98 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.661 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.542 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.3 tptp -83.77 -28.22 28.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.517 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 32' ' ' LEU . 5.4 tt -55.56 -46.31 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.602 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.948 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.85 -13.18 15.6 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.202 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.542 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 73.1 m-80 66.73 32.5 6.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.06 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 33.2 m-20 59.61 126.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.452 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.714 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -51.68 -26.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.888 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.4 ptm85 -58.65 -52.68 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 99.3 m -86.32 -33.91 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.214 0.53 . . . . 0.0 110.73 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.801 HD21 HG21 ' B' ' 24' ' ' THR . 2.1 tm? -61.07 -51.53 68.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.646 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.893 ' HG3' HD21 ' A' ' 22' ' ' LEU . 33.8 ttt85 -52.12 -34.46 44.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.22 -49.59 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.405 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.628 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 11.9 pt20 -62.93 -32.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 109.792 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -86.22 -24.1 26.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.044 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.632 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 12.1 tpt180 -49.48 -34.36 16.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.722 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 16' ' ' GLN . 12.5 pt-20 -61.4 -34.87 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.2 m -103.76 -142.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.422 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.645 HG22 ' H ' ' B' ' 22' ' ' LEU . 16.2 m -113.91 174.23 6.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.142 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.977 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.68 -15.05 10.08 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 24.5 pt-20 -41.44 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 110.182 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.801 HG21 HD21 ' B' ' 13' ' ' LEU . 99.8 m -55.32 -41.28 72.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.074 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.98 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -68.06 -47.18 69.04 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.378 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.98 ' H ' HD12 ' B' ' 25' ' ' LEU . 24.0 pt-20 -56.05 -23.53 33.97 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.342 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 44.6 tt0 -83.42 -51.67 7.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.755 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.6 mmt -89.21 -49.02 6.99 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.018 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 1.04 ' HG ' HD22 ' A' ' 7' ' ' LEU . 19.4 tp -51.95 -41.54 62.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.388 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 1.066 ' HB2' HD13 ' A' ' 10' ' ' ILE . 42.9 tt0 -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.679 ' HA ' HG22 ' B' ' 34' ' ' VAL . 8.5 mmpt? -83.69 -31.64 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.894 0.854 . . . . 0.0 109.481 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.043 HD11 ' HA ' ' A' ' 33' ' ' GLU . 24.9 tp -71.17 -24.89 62.33 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.103 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.911 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.1 pt-20 -85.83 -43.35 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' B' ' 31' ' ' LYS . 35.1 m -63.13 -35.82 73.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.074 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.744 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.5 p -55.54 -42.72 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -86.36 -20.15 7.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 177.513 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.62 ' ND2' HD11 ' A' ' 4' ' ' LEU . 29.8 t-20 -53.47 -38.66 63.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.902 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -84.44 -39.92 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.8 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.902 ' HD2' ' HG3' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -72.65 -53.64 11.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.758 179.158 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.8 mmm180 -46.37 -39.1 9.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.756 0.312 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -83.97 -46.21 12.31 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.6 mp0 -85.88 -42.95 13.66 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.842 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.21 -48.32 79.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.056 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.95 -34.67 68.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.94 -41.66 97.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.046 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.319 179.24 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.6 tp10 . . . . . 0 C--O 1.227 -0.125 0 CA-C-O 120.654 0.264 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.737 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.87 -23.91 41.6 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.897 0.856 . . . . 0.0 110.449 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.631 HD22 ' H ' ' A' ' 4' ' ' LEU . 1.3 mm? -85.1 -39.11 18.31 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.657 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.647 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -85.15 -27.5 26.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.761 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.58 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.434 0.635 . . . . 0.0 109.41 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.917 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -95.19 -8.28 36.69 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.944 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.12 34.19 16.49 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.776 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 37.5 m-20 60.64 126.52 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.855 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.84 -32.38 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.615 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -59.58 -50.54 73.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.195 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 91.6 m -74.27 -37.37 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.392 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.65 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.9 tt -60.64 -57.44 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.7 mtp180 -47.04 -31.62 3.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -76.32 -47.65 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.823 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.3 pt20 -70.97 -31.78 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.487 0.661 . . . . 0.0 110.178 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.98 -20.8 26.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.194 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.1 ptt85 -43.52 -34.34 1.34 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 87.5 tt0 -88.45 36.34 0.79 Allowed 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.763 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ALA . 35.5 t -170.15 -177.47 2.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 22' ' ' LEU . 24.2 m -86.6 169.69 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.731 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.884 ' HG ' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.98 -14.6 9.77 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 120.691 0.281 . . . . 0.0 110.27 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.14 0.04 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.8 -42.81 65.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.281 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.006 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -65.66 -47.5 75.3 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.416 178.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 1.006 ' H ' HD12 ' A' ' 25' ' ' LEU . 23.3 tt0 -54.25 -25.66 24.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.985 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 tt0 -80.3 -53.53 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.791 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.56 ' HE2' ' HG2' ' A' ' 27' ' ' GLU . 11.2 mmt -89.77 -46.94 8.24 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.022 0.439 . . . . 0.0 112.087 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' B' ' 7' ' ' LEU . 56.5 tp -54.24 -43.48 70.92 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.961 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.5 tt0 -60.87 -30.22 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.041 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.686 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.0 mmtp -86.64 -29.02 22.85 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.779 0.8 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.977 HD11 ' HA ' ' B' ' 33' ' ' GLU . 16.2 tp -68.88 -26.14 64.97 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.785 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.933 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.74 -36.73 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.633 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 31' ' ' LYS . 19.9 m -68.45 -37.74 78.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.209 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG21 HG11 ' B' ' 36' ' ' VAL . 15.0 m -55.24 -52.96 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 7.4 p -77.7 -18.83 13.98 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.638 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.457 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 42.6 t30 -58.17 -43.65 87.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.384 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -74.73 -47.3 32.09 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 121.33 0.586 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.91 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.5 mmm180 -45.05 -41.29 7.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.885 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -86.63 -44.04 12.18 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -86.11 -44.14 12.49 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 11.1 tm-20 -57.84 -48.37 79.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.162 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.29 -33.0 65.11 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.98 -43.97 81.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.398 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.97 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 . . . . . 0 C--O 1.226 -0.178 0 CA-C-O 120.562 0.22 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.734 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.71 -24.05 41.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.837 0.827 . . . . 0.0 110.46 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.626 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.3 mm? -85.17 -39.09 18.25 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.63 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.8 tmtt? -85.13 -27.62 26.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.084 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.757 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.62 -52.56 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 CA-C-O 121.465 0.65 . . . . 0.0 109.487 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -95.36 -8.02 36.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.885 178.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' B' ' 12' ' ' THR . 5.6 m120 62.01 34.23 16.76 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.802 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.54 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 38.0 m-20 60.45 126.62 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.846 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -51.86 -32.37 14.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.56 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -59.57 -50.61 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' B' ' 8' ' ' ASN . 91.0 m -74.18 -37.45 63.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.642 HD23 ' C ' ' B' ' 13' ' ' LEU . 5.9 tt -60.61 -57.4 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.295 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.771 ' HG2' HD21 ' A' ' 22' ' ' LEU . 79.5 mtp180 -47.05 -31.65 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -76.36 -47.47 23.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.907 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.3 pt20 -71.17 -31.62 67.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.421 0.629 . . . . 0.0 110.104 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.02 -20.94 26.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.163 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 15' ' ' ALA . 30.0 ptt85 -43.32 -34.49 1.24 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.262 0.553 . . . . 0.0 109.536 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 19' ' ' GLU . 87.4 tt0 -88.37 36.32 0.78 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.693 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 17' ' ' ALA . 35.4 t -170.14 -177.44 2.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.957 0.408 . . . . 0.0 111.393 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.577 HG22 ' N ' ' B' ' 22' ' ' LEU . 23.9 m -86.54 169.72 12.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.907 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.04 -14.5 9.84 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.711 0.291 . . . . 0.0 110.352 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.513 ' N ' HD23 ' B' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.534 HG21 HD21 ' B' ' 13' ' ' LEU . 5.2 t -52.74 -42.81 65.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.244 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.96 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -65.71 -47.5 75.15 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.343 178.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.96 ' H ' HD12 ' B' ' 25' ' ' LEU . 23.3 tt0 -54.23 -25.65 24.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.572 -0.851 . . . . 0.0 108.881 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.66 ' HG2' ' HE2' ' B' ' 28' ' ' MET . 39.5 tt0 -80.26 -53.69 6.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.757 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.66 ' HE2' ' HG2' ' B' ' 27' ' ' GLU . 11.4 mmt -89.64 -47.06 8.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.975 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.917 ' HG ' HD22 ' A' ' 7' ' ' LEU . 56.2 tp -54.14 -43.44 70.53 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.645 ' O ' HG13 ' B' ' 34' ' ' VAL . 38.4 tt0 -61.03 -30.12 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.685 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.9 mmtp -86.58 -29.03 22.92 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.787 0.803 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.933 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -68.93 -26.18 64.94 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.701 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.977 ' HA ' HD11 ' A' ' 32' ' ' LEU . 1.7 pp20? -84.7 -36.71 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.656 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' B' ' 31' ' ' LYS . 20.1 m -68.52 -37.72 78.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 36' ' ' VAL . 15.1 m -55.32 -52.78 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.4 p -77.8 -18.93 13.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.082 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.534 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 42.8 t30 -58.03 -43.69 86.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.594 0.711 . . . . 0.0 109.263 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -69.68 -41.62 75.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.483 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.834 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.7 -47.42 31.6 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.967 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.911 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.6 mmm180 -44.94 -41.44 7.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -86.6 -44.01 12.22 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.3 mt-10 -86.06 -44.14 12.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 11.1 tm-20 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.118 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.2 -33.12 65.01 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.84 -44.09 81.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.432 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.9 tt0 . . . . . 0 C--O 1.226 -0.15 0 CA-C-O 120.744 0.307 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.823 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -74.18 -21.68 59.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.837 0.827 . . . . 0.0 110.136 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 mp -84.35 -45.65 12.56 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 26.1 tptp -80.71 -23.16 39.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.748 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.953 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.0 -48.59 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.663 0.744 . . . . 0.0 109.9 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -103.37 -10.98 18.19 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.392 -1.277 . . . . 0.0 109.361 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.527 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 63.4 m-80 67.18 25.35 9.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.55 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.615 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 42.7 m-20 64.91 132.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.206 0.527 . . . . 0.0 111.834 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -19.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.838 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' THR . 16.2 ptp180 -59.2 -56.84 16.96 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.633 0.254 . . . . 0.0 111.583 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 8.8 t -85.36 -29.8 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.233 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.7 tm? -60.7 -46.91 88.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.949 ' HD2' HD21 ' B' ' 22' ' ' LEU . 11.0 tpt180 -51.45 -35.99 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.442 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.44 -47.04 9.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 3.9 pt20 -62.67 -34.24 76.7 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.45 0.643 . . . . 0.0 109.961 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.05 -23.41 26.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.167 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.9 tpt180 -47.99 -32.2 6.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.915 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -83.51 26.63 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.383 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -162.43 -154.17 0.3 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.778 0.323 . . . . 0.0 111.264 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.2 p -102.09 174.38 5.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.04 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -68.61 -15.47 63.54 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.114 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.2 tt0 -41.12 -26.74 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.404 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 t -53.26 -42.22 66.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.085 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.04 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.45 -44.68 82.15 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.363 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.948 ' H ' HD12 ' A' ' 25' ' ' LEU . 36.3 tt0 -53.82 -26.31 23.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 65.8 mm-40 -82.71 -54.19 5.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 24' ' ' THR . 19.8 ptp -89.64 -45.87 9.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.827 HD12 HD23 ' B' ' 32' ' ' LEU . 40.4 tp -53.3 -41.87 66.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.883 0.373 . . . . 0.0 110.161 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 34' ' ' VAL . 85.8 tt0 -62.91 -33.66 75.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.639 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 34' ' ' VAL . 24.8 mmtp -86.46 -28.97 23.16 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.804 0.811 . . . . 0.0 109.542 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.065 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.9 tp -68.37 -24.12 64.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.346 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.986 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.0 pt-20 -86.13 -42.5 13.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 31' ' ' LYS . 20.5 m -60.18 -36.37 67.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.59 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 14.0 m -56.42 -48.87 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.6 -19.66 14.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.375 177.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' OD1' HD11 ' B' ' 4' ' ' LEU . 34.6 t30 -58.18 -37.49 74.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.62 -43.66 15.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.129 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.05 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.86 -48.52 65.91 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.744 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.615 HH11 ' HE ' ' B' ' 39' ' ' ARG . 22.4 mmm180 -53.52 -44.0 68.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.86 -35.14 51.35 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 41.1 tp10 -80.19 -36.29 35.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.353 . . . . 0.0 111.394 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.026 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 16.2 mm-40 -59.56 -49.44 77.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -58.15 -32.73 68.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -70.13 -39.74 75.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.537 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.673 179.66 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.53 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.8 tt0 . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -73.87 -28.28 61.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.155 0.978 . . . . 0.0 110.211 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.5 mp -76.76 -45.82 27.54 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.271 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.1 tmtp? -77.6 -36.64 51.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.944 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.878 HG21 HD13 ' B' ' 32' ' ' LEU . 2.0 tt -53.71 -41.75 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-O 122.307 1.051 . . . . 0.0 108.956 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.1 tt -88.47 -28.11 21.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.635 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 62.31 12.73 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.594 ' CA ' HD22 ' B' ' 7' ' ' LEU . 2.7 m120 70.27 127.67 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.038 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.047 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.84 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.07 -35.37 22.65 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.704 -179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' B' ' 12' ' ' THR . 36.6 ptt180 -49.25 -43.8 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.07 0.462 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.685 HG23 ' HG3' ' B' ' 11' ' ' ARG . 25.9 p -88.14 -38.32 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.071 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 tt -63.72 -58.69 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.405 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -46.32 -28.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 111.152 -178.517 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.552 ' N ' ' HD3' ' B' ' 14' ' ' ARG . . . -85.51 -52.26 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.666 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 11.6 pt20 -61.98 -33.51 74.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.7 -22.95 27.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.158 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.64 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -48.48 -33.36 9.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.4 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -61.51 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.1 p -103.14 -144.28 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.319 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.628 HG22 ' H ' ' B' ' 22' ' ' LEU . 15.8 m -110.52 173.69 6.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.379 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.991 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.71 -14.3 8.18 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.552 0.215 . . . . 0.0 110.502 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.448 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.6 tp10 -39.83 -27.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.372 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' B' ' 22' ' ' LEU . 64.1 m -53.57 -43.67 68.68 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.235 178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.991 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -66.98 -45.09 78.72 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.693 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.6 tt0 -56.26 -24.86 45.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.5 tp10 -84.03 -53.54 5.48 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.3 mmt -88.88 -48.64 7.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.176 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.903 HD12 HD23 ' A' ' 32' ' ' LEU . 45.8 tp -59.06 -28.51 66.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.05 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.467 ' HB2' HG21 ' A' ' 10' ' ' ILE . 78.1 tt0 -72.61 -31.6 65.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.68 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.765 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -87.07 -32.24 20.07 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.76 0.791 . . . . 0.0 109.587 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.018 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 15.5 tp -66.61 -24.21 66.28 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.989 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.065 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -86.73 -45.48 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.169 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' B' ' 31' ' ' LYS . 34.7 m -63.7 -33.18 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.331 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 36' ' ' VAL . 8.0 p -58.47 -46.19 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.4 -20.66 12.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.66 177.444 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 29.6 t30 -55.88 -37.76 69.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.98 -43.07 20.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.892 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.026 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.53 -54.57 15.92 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.697 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' B' ' 36' ' ' VAL . 22.5 mmm180 -47.62 -39.83 17.93 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.706 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.5 -38.96 23.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.6 tt0 -78.01 -40.41 39.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 111.451 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.05 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 22.1 mm-40 -57.76 -47.56 82.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.78 -34.31 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.64 -44.73 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.702 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.758 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.611 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 36.9 tt0 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.693 0.282 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.8 -21.25 34.58 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.916 0.865 . . . . 0.0 109.491 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.413 HD21 ' OD1' ' B' ' 37' ' ' ASN . 10.1 mt -82.23 -46.57 13.54 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.501 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.654 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.2 tmtp? -79.59 -24.05 42.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.276 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.1 HG21 HD13 ' A' ' 32' ' ' LEU . 3.3 tt -53.03 -45.6 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.607 0.718 . . . . 0.0 109.169 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.677 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -104.85 -7.19 19.57 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.479 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.57 30.46 17.06 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.944 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 33.8 m-20 61.71 129.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.874 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.35 -23.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.624 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 13.9 ptp180 -65.5 -51.66 58.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 94.8 m -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.206 0.526 . . . . 0.0 110.501 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 24' ' ' THR . 6.1 tt -63.89 -51.34 65.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' B' ' 22' ' ' LEU . 32.8 tpt85 -46.29 -32.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.27 -49.69 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.274 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.676 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.5 pt20 -65.29 -33.72 76.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.532 0.682 . . . . 0.0 109.735 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.3 -19.54 29.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.523 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -44.73 -30.06 0.88 Allowed 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.325 0.583 . . . . 0.0 109.748 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -115.32 45.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.1 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' ALA . 47.4 t -168.44 163.81 12.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' H ' ' A' ' 23' ' ' GLU . 57.1 m -68.39 155.62 39.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.183 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.102 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.22 -12.92 9.99 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.607 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.522 ' H ' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -39.71 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.758 -179.376 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 13' ' ' LEU . 4.9 t -52.76 -40.75 63.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.777 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.102 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.83 -43.12 76.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.09 0.472 . . . . 0.0 109.902 178.272 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.927 ' N ' HD12 ' A' ' 25' ' ' LEU . 29.0 tt0 -57.51 -23.69 51.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 81.4 tt0 -84.2 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.918 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.3 mmt -89.71 -46.27 8.73 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.872 HD12 HD23 ' B' ' 32' ' ' LEU . 34.5 tp -61.45 -26.6 67.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.6 tt0 -74.25 -35.1 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 111.268 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' A' ' 34' ' ' VAL . 53.9 mmtt -86.08 -28.46 24.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 109.592 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.1 HD13 HG21 ' A' ' 6' ' ' ILE . 16.3 tp -66.4 -26.13 67.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.021 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.041 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.3 pt-20 -85.13 -40.79 16.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.006 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 31' ' ' LYS . 22.9 m -68.01 -33.53 61.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.959 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.71 HG22 HG11 ' B' ' 36' ' ' VAL . 14.9 p -57.74 -48.15 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -78.04 -32.34 17.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.958 177.389 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.597 ' OD1' HD21 ' B' ' 4' ' ' LEU . 45.4 t30 -42.27 -42.83 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.583 0.706 . . . . 0.0 109.39 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.67 -40.25 73.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.929 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.915 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -75.39 -52.9 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.735 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.673 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 23.1 mmm180 -44.65 -37.65 3.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.88 -48.32 8.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.5 mm-40 -87.45 -44.8 11.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -57.13 -48.41 78.74 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -55.94 -35.73 66.98 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.48 -41.43 98.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.787 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.493 179.133 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 111.351 0.13 . . . . 0.0 111.351 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.665 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.55 -25.15 38.79 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.929 0.871 . . . . 0.0 109.538 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.604 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -86.1 -37.3 18.96 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.16 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -85.37 -22.43 28.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.707 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.974 HG21 HD13 ' B' ' 32' ' ' LEU . 8.1 tt -54.38 -51.22 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-O 122.215 1.007 . . . . 0.0 109.499 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.732 ' HB2' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -100.02 -8.72 23.51 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.523 -1.672 . . . . 0.0 108.912 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' THR . 5.2 m120 63.19 27.63 15.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 39.7 m-20 62.43 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.221 0.534 . . . . 0.0 111.345 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.869 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -57.29 -19.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.844 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.3 ptm180 -62.21 -58.1 9.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -77.6 -30.19 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.325 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.759 HD21 HG21 ' B' ' 24' ' ' THR . 5.8 tt -62.09 -52.25 64.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.198 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 22' ' ' LEU . 11.9 tpt180 -45.54 -32.51 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.96 -47.02 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 112.14 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 7.2 pt20 -64.73 -35.51 81.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.711 0.767 . . . . 0.0 109.475 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.52 -19.2 29.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.598 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.0 ttt180 -44.03 -30.95 0.8 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.237 0.542 . . . . 0.0 109.688 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -112.63 45.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.068 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 17' ' ' ALA . 47.4 t -168.53 162.68 12.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.064 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 23' ' ' GLU . 58.0 m -67.41 155.44 38.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -60.77 -12.15 9.78 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 44.0 tt0 -39.27 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.759 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -53.71 -36.59 62.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.942 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -72.88 -45.09 60.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.241 178.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.928 ' H ' HD12 ' B' ' 25' ' ' LEU . 12.2 pt-20 -60.4 -19.68 56.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.3 tp10 -83.79 -58.21 2.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.611 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 58.5 mtt -90.13 -45.62 9.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.641 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.876 HD12 HD23 ' A' ' 32' ' ' LEU . 31.8 tp -61.44 -27.03 68.27 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.147 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.681 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 38.9 tt0 -75.26 -32.68 61.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.656 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.7 mmtp -87.37 -27.94 22.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.96 0.886 . . . . 0.0 109.576 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.041 HD11 ' HA ' ' A' ' 33' ' ' GLU . 25.5 tp -67.87 -24.76 65.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.698 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.98 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.11 -36.52 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 178.245 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.667 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.8 m -68.89 -35.48 69.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.91 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.729 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 4.7 m -54.93 -53.33 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -74.38 -27.22 21.16 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 120.344 -0.543 . . . . 0.0 111.015 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 33.9 t30 -49.19 -41.38 36.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.167 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -77.98 -41.93 34.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.842 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.538 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 22.6 mmm180 -54.23 -38.1 65.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -87.53 -47.05 9.04 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.543 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -88.25 -44.85 10.54 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.915 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.6 tm-20 -59.48 -47.7 84.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.074 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -54.76 -34.19 62.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.05 -42.16 89.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.889 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.744 179.392 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.2 tt0 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 120.797 0.332 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -75.21 -23.07 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.027 0.918 . . . . 0.0 110.23 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -81.94 -44.44 16.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.916 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.66 -23.38 34.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.83 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.89 -49.42 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.661 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -100.34 -11.16 20.52 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.22 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 65.67 28.86 11.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.542 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.2 m-20 61.81 129.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.841 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -61.5 -27.58 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.87 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.3 ptp180 -49.67 -50.75 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.281 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 99.1 m -83.43 -33.78 25.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.788 HD21 HD22 ' B' ' 25' ' ' LEU . 2.2 tp -63.06 -61.56 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.656 ' HA ' HD11 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -46.19 -25.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 -177.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.5 7.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.01 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.8 pt20 -63.0 -36.55 83.92 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 109.768 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.587 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.26 -19.56 29.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.549 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.6 tpt180 -43.5 -30.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.2 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.83 36.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.508 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' ALA . 68.7 m -164.35 -165.41 0.96 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.981 0.42 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 23' ' ' GLU . 64.1 m -87.67 155.29 20.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.222 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.065 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.9 -13.78 27.97 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.481 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 24.8 pt-20 -39.67 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 111.401 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 HD13 ' A' ' 13' ' ' LEU . 93.8 m -51.91 -36.94 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.065 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -72.45 -44.03 62.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.934 ' H ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -59.42 -21.0 59.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 5.4 tp10 -84.05 -56.32 3.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.607 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -89.7 -47.79 7.7 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 HD23 ' B' ' 32' ' ' LEU . 41.5 tp -59.57 -22.52 61.87 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.124 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 34' ' ' VAL . 39.9 tt0 -79.36 -31.94 43.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.189 0.519 . . . . 0.0 110.5 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.666 ' HA ' HG22 ' A' ' 34' ' ' VAL . 54.2 mmtt -87.08 -28.86 22.29 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.733 0.777 . . . . 0.0 109.763 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.05 HD23 HD12 ' B' ' 29' ' ' LEU . 23.6 tp -68.93 -24.8 64.32 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.521 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.823 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.7 pt-20 -84.48 -34.6 23.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.9 m -71.8 -36.98 60.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.174 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.696 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m -56.06 -49.38 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -81.72 -18.23 11.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.009 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 34.1 t30 -59.12 -41.77 88.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.71 -42.66 60.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.378 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.148 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.77 -32.26 71.88 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.572 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.892 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.2 mmm180 -64.51 -44.9 89.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -85.54 -27.68 25.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.051 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -82.31 -39.65 22.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.603 0.24 . . . . 0.0 111.632 -178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.051 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.4 mm-40 -60.05 -48.59 81.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 93.1 p -56.33 -33.28 65.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -71.69 -39.93 69.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.441 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 C--O 1.225 -0.196 0 CA-C-O 120.79 0.329 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.8 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.81 -24.87 58.71 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.029 0.919 . . . . 0.0 110.431 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.4 OUTLIER -83.18 -43.95 15.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.438 -179.002 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.29 -24.18 32.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 32' ' ' LEU . 2.9 tt -54.72 -45.82 73.53 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.683 0.754 . . . . 0.0 109.81 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.28 -11.45 16.5 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.525 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 65.46 32.72 9.32 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.073 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 61.81 126.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.03 -29.69 22.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.856 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 36.2 ptt180 -54.79 -51.07 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 98.2 m -75.38 -34.51 61.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.812 HD21 HD22 ' A' ' 25' ' ' LEU . 6.9 tp -61.75 -59.74 4.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.471 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 37.3 ttt85 -45.42 -26.57 0.57 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.541 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.39 -51.29 6.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.048 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 13.3 pt20 -63.68 -35.45 80.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.622 0.725 . . . . 0.0 110.239 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.69 -19.8 28.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.635 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.61 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -42.84 -30.3 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.255 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -98.82 37.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.528 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 17' ' ' ALA . 62.0 m -163.41 -165.22 1.03 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.482 HG22 ' N ' ' B' ' 22' ' ' LEU . 47.7 m -95.87 160.22 14.58 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 1.021 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -59.0 -13.92 7.93 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.692 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.609 ' HA ' ' HG2' ' B' ' 26' ' ' GLU . 88.2 tt0 -40.28 -26.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 13' ' ' LEU . 5.1 t -54.29 -38.22 65.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.034 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.021 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -72.33 -45.07 61.56 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.945 ' H ' HD12 ' B' ' 25' ' ' LEU . 15.6 pt-20 -58.65 -20.8 51.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.1 tp10 -83.18 -58.82 2.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.666 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.9 mtt -89.92 -44.7 9.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 32' ' ' LEU . 35.8 tp -59.3 -35.51 73.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 18.0 tp10 -66.97 -31.19 71.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.676 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -83.15 -28.06 29.66 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.803 0.811 . . . . 0.0 109.352 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.951 HD13 HG21 ' B' ' 6' ' ' ILE . 17.9 tp -68.25 -25.35 65.13 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.618 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.002 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.26 -37.18 18.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.728 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.676 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.4 m -68.01 -35.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 32' ' ' LEU . 13.1 p -56.56 -42.57 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.681 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -85.19 -20.63 8.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.915 177.233 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 33.4 t30 -53.72 -36.1 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -84.27 -45.52 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.268 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.051 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.5 -53.49 22.92 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 36' ' ' VAL . 18.7 mmm180 -48.55 -40.38 26.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.664 0.269 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -84.27 -39.46 19.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -78.58 -38.62 39.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.753 -178.711 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.148 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.1 mm-40 -58.17 -46.96 84.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.55 -35.16 69.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.68 -40.55 84.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.272 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.403 179.472 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.531 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 43.5 tp10 . . . . . 0 C--O 1.227 -0.12 0 CA-C-O 120.803 0.335 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -76.56 -22.29 54.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.739 HD11 ' ND2' ' B' ' 37' ' ' ASN . 0.3 OUTLIER -85.53 -45.39 11.83 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.317 -178.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -82.31 -22.61 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.824 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.783 HG21 HD13 ' A' ' 32' ' ' LEU . 5.3 tt -54.09 -52.58 35.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-O 121.925 0.869 . . . . 0.0 109.737 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.911 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -99.59 -10.39 22.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.887 -1.506 . . . . 0.0 108.856 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 63.32 32.55 14.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.058 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 26.8 m-20 60.22 128.91 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.69 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.703 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -55.5 -24.49 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 179.797 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.5 ptp180 -63.82 -53.07 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.406 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 93.7 m -74.28 -36.17 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.372 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.625 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 6.2 tt -63.62 -50.7 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.678 ' HD2' HD21 ' B' ' 22' ' ' LEU . 34.0 tpt85 -46.68 -33.36 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.34 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.96 -49.87 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.403 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.625 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.6 pt20 -63.78 -34.71 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.574 0.702 . . . . 0.0 110.055 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.59 27.81 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 80.3 ttt180 -44.05 -29.46 0.6 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -103.27 41.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.209 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.3 m -156.96 -144.11 0.13 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 22' ' ' LEU . 32.6 m -126.13 164.28 21.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.668 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.933 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.32 -15.5 16.51 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.51 0.195 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -41.87 -24.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.261 0.553 . . . . 0.0 110.126 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 13' ' ' LEU . 87.0 m -53.95 -39.02 65.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.958 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -72.11 -47.18 53.13 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 1.009 ' H ' HD12 ' A' ' 25' ' ' LEU . 11.6 pt-20 -56.22 -23.72 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.8 tt0 -83.65 -54.33 5.0 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.06 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -89.48 -46.96 8.31 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.009 ' HG ' HD22 ' B' ' 7' ' ' LEU . 30.1 tp -54.98 -41.88 71.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' O ' HG13 ' A' ' 34' ' ' VAL . 34.8 tt0 -62.36 -31.66 72.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.1 mmtp -87.67 -31.96 19.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.652 0.739 . . . . 0.0 110.041 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.049 HD11 ' HA ' ' B' ' 33' ' ' GLU . 23.3 tp -69.11 -24.18 64.09 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.892 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.925 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.52 -38.87 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.351 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 31' ' ' LYS . 29.1 m -69.21 -36.92 75.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.0 m -55.98 -50.8 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.8 p -79.29 -19.11 12.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.674 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.9 t30 -61.21 -47.38 86.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.6 -42.08 83.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 1.004 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -71.87 -26.87 62.52 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.258 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 36' ' ' VAL . 1.2 mmm180 -66.75 -43.55 83.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -84.94 -26.9 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.686 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.041 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 12.6 mm-40 -62.53 -47.75 82.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -54.9 -33.33 61.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.55 -45.94 70.8 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.376 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.862 179.654 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.582 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 . . . . . 0 C--O 1.225 -0.236 0 CA-C-O 120.577 0.227 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.28 -27.09 60.57 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.56 13.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.407 -178.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.506 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 19.4 tptm -79.54 -26.04 41.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.849 HG21 HD13 ' B' ' 32' ' ' LEU . 2.6 tt -54.84 -46.12 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.529 0.68 . . . . 0.0 109.937 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 1.009 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.44 -11.55 16.38 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.628 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.506 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 66.0 m-80 67.48 30.51 6.76 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.542 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 28.4 m-20 62.19 127.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.2 -22.59 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' B' ' 12' ' ' THR . 15.4 ptp180 -63.57 -54.27 38.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.566 HG23 ' HG3' ' B' ' 11' ' ' ARG . 16.1 p -74.59 -37.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.176 0.512 . . . . 0.0 110.275 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.67 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 5.9 tt -60.16 -51.85 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.644 ' HD2' HD21 ' A' ' 22' ' ' LEU . 35.9 tpt85 -46.97 -33.18 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.85 -49.54 8.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.67 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.0 pt20 -64.85 -33.83 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.064 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.97 27.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.525 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.7 ttt180 -43.1 -29.79 0.39 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -105.02 43.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.3 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.2 m -157.58 -145.54 0.15 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.468 HG22 ' N ' ' B' ' 22' ' ' LEU . 41.7 m -126.31 160.27 30.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.687 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.905 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -58.28 -16.09 12.77 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.604 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.503 ' N ' HD23 ' B' ' 22' ' ' LEU . 43.9 tt0 -41.41 -27.33 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.065 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 25' ' ' LEU . 4.7 t -55.65 -42.83 75.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.338 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.922 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.2 pp -67.42 -44.1 79.62 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.196 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' B' ' 25' ' ' LEU . 79.1 tt0 -54.27 -27.07 32.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.68 -50.74 7.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.06 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.5 mtt -88.8 -48.32 7.58 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.911 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.9 tp -53.75 -38.23 64.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.131 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 34.3 tt0 -64.18 -34.15 77.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.964 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.7 mmtp -86.32 -27.32 24.39 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.407 0.622 . . . . 0.0 110.15 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.6 tp -70.33 -26.1 63.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.762 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 1.049 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.0 pt-20 -85.03 -39.06 18.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.991 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.783 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.3 m -70.85 -38.44 72.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.052 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.772 HG22 HG21 ' A' ' 36' ' ' VAL . 8.7 p -55.78 -47.23 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.2 p -83.76 -19.31 9.61 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.137 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.739 ' ND2' HD11 ' A' ' 4' ' ' LEU . 32.0 t-20 -52.64 -43.17 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.67 -40.45 69.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.85 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.041 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.07 -51.96 33.41 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.142 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.82 ' HG2' HG22 ' B' ' 36' ' ' VAL . 6.5 mmm180 -48.19 -40.14 23.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.599 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.2 -39.61 16.45 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -80.94 -42.5 21.21 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 1.004 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 17.9 mm-40 -58.63 -47.79 83.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.667 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -56.06 -33.53 65.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -68.19 -43.87 77.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.299 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.615 179.485 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.621 ' N ' HD23 ' A' ' 4' ' ' LEU . 47.4 t . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.9 tt0 -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.4 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.06 -22.9 44.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.793 0.806 . . . . 0.0 110.506 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' B' ' 33' ' ' GLU . 2.1 mm? -84.52 -46.19 11.85 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.384 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.23 -23.66 37.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.242 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 32' ' ' LEU . 9.1 tt -53.85 -50.8 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 122.087 0.946 . . . . 0.0 109.876 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.893 HD13 HD21 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -102.73 -9.72 19.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.911 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' THR . 48.3 t-20 60.75 25.78 15.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.509 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.67 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 21.6 m-20 67.5 128.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -52.16 -26.69 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.383 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.4 ptt180 -52.64 -50.1 63.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.634 0.254 . . . . 0.0 111.596 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 8' ' ' ASN . 15.0 t -84.34 -33.96 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.719 0.295 . . . . 0.0 111.63 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.619 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 4.8 tt -61.68 -57.73 10.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.413 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.827 ' HG3' HD21 ' B' ' 22' ' ' LEU . 73.5 ttt180 -48.48 -27.72 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.462 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 -50.13 7.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.116 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.619 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.4 pt20 -64.48 -33.51 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.49 0.662 . . . . 0.0 109.865 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -85.98 -22.56 27.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.389 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.4 ttt-85 -43.98 -31.41 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.8 35.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.42 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' ALA . 81.2 p -168.49 -162.83 0.42 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.622 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.672 HG22 ' H ' ' A' ' 23' ' ' GLU . 86.0 m -89.04 155.43 19.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.317 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.115 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -60.86 -12.7 11.82 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.672 ' H ' HG22 ' A' ' 21' ' ' THR . 89.2 tt0 -39.17 -25.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.589 0.233 . . . . 0.0 110.797 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 17' ' ' ALA . 70.1 p -50.8 -40.33 55.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.115 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.64 -43.78 75.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.872 178.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.934 ' HA ' HG21 ' B' ' 10' ' ' ILE . 27.8 tt0 -57.58 -23.62 51.7 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.7 tp10 -83.95 -54.17 5.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.748 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.4 mtt -90.24 -46.78 8.2 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.905 HD21 HD13 ' B' ' 7' ' ' LEU . 15.3 tp -61.26 -40.76 95.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.714 ' O ' HG13 ' A' ' 34' ' ' VAL . 81.2 tt0 -62.76 -34.88 78.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.909 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.692 ' HA ' HG22 ' A' ' 34' ' ' VAL . 66.4 mmtt -86.5 -26.56 24.53 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.685 0.755 . . . . 0.0 109.727 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.99 HD11 ' HA ' ' B' ' 33' ' ' GLU . 53.4 tp -69.67 -24.86 63.67 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.065 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -86.21 -35.84 19.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.407 178.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 30' ' ' GLU . 12.4 m -70.18 -36.5 68.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.754 HG22 HG21 ' B' ' 36' ' ' VAL . 7.5 p -59.92 -50.8 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.2 p -75.72 -18.95 15.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.777 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' ND2' HD11 ' B' ' 4' ' ' LEU . 30.4 t-20 -57.36 -48.43 79.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.42 -42.95 82.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.315 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.085 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.01 -30.87 69.35 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.359 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.867 ' HG2' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -65.91 -43.84 86.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.94 -28.62 27.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.429 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 52.1 mt-10 -86.6 -39.74 15.85 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.058 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.7 mm-40 -62.3 -45.34 93.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.753 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.23 -44.19 72.53 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.47 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -62.23 -39.55 93.2 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.786 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -63.51 -48.21 78.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 46' ' ' ALA . 34.8 m -66.25 -38.38 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.338 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 52' ' ' GLU . 88.2 tt0 60.22 -112.4 0.55 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' N ' ' HG2' ' A' ' 51' ' ' GLU . 44.0 tp10 -167.86 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -65.24 -48.37 73.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -67.39 137.24 55.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -174.99 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 56.99 43.84 23.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.96 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.626 ' N ' HD23 ' B' ' 4' ' ' LEU . 47.3 t . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.767 0.317 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 -76.6 -31.31 57.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.366 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.02 -22.98 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.891 0.853 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.769 HD13 ' OE1' ' A' ' 33' ' ' GLU . 2.0 mm? -84.44 -46.2 11.91 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.403 -1.272 . . . . 0.0 110.429 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -81.32 -23.54 37.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.217 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.754 HG21 HD13 ' B' ' 32' ' ' LEU . 9.1 tt -53.88 -50.95 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 122.095 0.95 . . . . 0.0 109.75 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.905 HD13 HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -102.69 -9.57 19.94 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 113.71 -1.587 . . . . 0.0 108.964 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.559 ' O ' HG22 ' B' ' 12' ' ' THR . 48.2 t-20 60.68 25.64 15.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.582 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.675 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 21.6 m-20 67.69 128.82 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -52.15 -26.7 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.362 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 12' ' ' THR . 38.3 ptt180 -52.74 -50.02 64.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.617 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.559 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -84.28 -34.1 23.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.612 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.607 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 4.8 tt -61.71 -57.6 11.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.435 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.829 ' HG3' HD21 ' A' ' 22' ' ' LEU . 73.5 ttt180 -48.54 -27.67 2.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.789 0.328 . . . . 0.0 111.415 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.44 -50.33 7.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.141 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.607 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.4 pt20 -64.29 -33.61 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.541 0.686 . . . . 0.0 109.909 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -85.91 -22.64 27.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.35 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.3 ttt-85 -43.96 -31.39 0.88 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.75 35.49 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.414 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.41 ' N ' ' O ' ' B' ' 17' ' ' ALA . 82.1 p -168.44 -162.8 0.42 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.889 0.376 . . . . 0.0 111.717 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.67 HG22 ' H ' ' B' ' 23' ' ' GLU . 86.2 m -89.07 155.46 19.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.5 OUTLIER -60.94 -12.76 12.31 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.296 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.67 ' H ' HG22 ' B' ' 21' ' ' THR . 89.2 tt0 -39.01 -25.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.591 HG21 ' HB2' ' B' ' 17' ' ' ALA . 69.7 p -50.85 -40.4 55.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.47 -43.93 75.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.91 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 27.8 tt0 -57.56 -23.57 51.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.7 tp10 -84.04 -54.08 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.739 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 64.5 mtt -90.34 -46.64 8.26 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.893 HD21 HD13 ' A' ' 7' ' ' LEU . 15.3 tp -61.26 -40.88 95.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.702 ' O ' HG13 ' B' ' 34' ' ' VAL . 81.3 tt0 -62.7 -34.78 77.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.702 ' HA ' HG22 ' B' ' 34' ' ' VAL . 66.4 mmtt -86.64 -26.45 24.35 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.986 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 53.5 tp -69.75 -24.72 63.57 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.157 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.99 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.31 -35.85 19.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.336 178.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.702 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.6 m -70.25 -36.54 67.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.735 HG22 HG21 ' A' ' 36' ' ' VAL . 7.4 p -59.77 -50.89 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.2 p -75.66 -18.97 15.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.741 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.525 ' ND2' HD11 ' A' ' 4' ' ' LEU . 30.2 t-20 -57.42 -48.39 79.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.53 -42.8 82.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.366 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.058 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.1 -30.72 69.07 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.357 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' B' ' 36' ' ' VAL . 0.3 OUTLIER -66.16 -43.66 86.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.513 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.95 -28.71 27.62 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.603 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 52.1 mt-10 -86.53 -39.87 15.81 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.085 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.7 mm-40 -62.2 -45.36 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.758 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.39 -33.9 66.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.22 -44.31 72.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.463 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.425 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -62.08 -39.65 93.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.2 94.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.4 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -63.55 -48.26 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.379 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 46' ' ' ALA . 34.8 m -66.24 -38.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.393 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' B' ' 52' ' ' GLU . 88.3 tt0 60.21 -112.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.513 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' B' ' 51' ' ' GLU . 43.7 tp10 -167.89 -47.3 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.758 0.313 . . . . 0.0 110.826 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.28 -48.31 73.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.871 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -67.42 137.26 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -174.96 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 57.0 43.85 23.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.989 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.569 ' HB2' HD22 ' A' ' 4' ' ' LEU . 80.5 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 86.6 tt0 -79.06 -26.45 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -74.79 -22.02 58.98 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.925 0.869 . . . . 0.0 109.914 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 1' ' ' SER . 0.9 OUTLIER -84.11 -44.45 14.03 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.776 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -80.1 -25.02 40.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.982 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.49 -56.7 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-O 121.71 0.767 . . . . 0.0 109.058 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.18 -11.67 37.68 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.537 179.355 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.53 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER 64.06 34.95 10.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.428 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 28.3 m-20 59.01 129.09 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.764 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.8 -28.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.929 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.0 ptp180 -58.48 -52.9 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 98.5 m -73.15 -34.11 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.291 0.567 . . . . 0.0 110.58 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.978 HD21 HD22 ' B' ' 25' ' ' LEU . 6.1 tp -62.01 -60.19 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.427 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.849 ' HG3' HD21 ' B' ' 22' ' ' LEU . 72.5 ttt180 -45.62 -24.92 0.39 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.759 0.314 . . . . 0.0 111.386 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.17 -50.12 7.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.607 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -66.17 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.38 0.61 . . . . 0.0 110.117 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.52 -20.48 27.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.404 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 41.1 ttt85 -43.92 -29.76 0.61 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.516 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.0 39.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.485 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -163.5 -166.6 1.25 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.961 0.41 . . . . 0.0 111.456 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 22' ' ' LEU . 38.7 m -96.92 162.2 13.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.683 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.39 -15.34 10.28 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.515 0.198 . . . . 0.0 110.586 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.49 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.559 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 13' ' ' LEU . 5.2 t -52.22 -43.03 64.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.891 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 22' ' ' LEU . 1.2 pp -68.11 -42.81 79.7 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.7 tm-20 -54.17 -26.62 28.92 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 50.5 mt-10 -83.19 -48.97 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.837 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.471 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 20.5 mmt -89.27 -49.93 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.963 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.837 ' HG ' HD22 ' B' ' 7' ' ' LEU . 61.8 tp -56.0 -36.56 68.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.409 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 34' ' ' VAL . 42.4 tt0 -69.43 -33.25 72.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.531 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 34' ' ' VAL . 60.0 mmtt -87.45 -32.23 19.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.721 0.772 . . . . 0.0 110.215 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.982 HD13 HG21 ' A' ' 6' ' ' ILE . 23.0 tp -67.44 -23.49 65.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.755 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.8 pt-20 -85.32 -40.78 16.16 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.049 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.8 m -68.62 -37.09 77.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.244 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.677 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 6.4 p -56.02 -47.6 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.766 HG22 ' HG2' ' A' ' 40' ' ' ARG . 8.0 p -83.48 -20.37 9.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.007 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 31.2 t30 -56.5 -38.77 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.9 -41.79 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.049 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.831 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.79 -49.92 23.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.417 0.627 . . . . 0.0 110.53 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.766 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.9 mmt-85 -47.04 -39.01 11.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -87.15 -54.84 4.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -88.51 -39.35 14.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.831 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 66.2 mm-40 -72.85 -42.67 63.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.869 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -55.14 -33.66 63.09 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.43 -43.93 97.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 0.0 109.215 177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.55 86.37 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.829 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.89 89.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.478 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -58.96 -40.08 83.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.219 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 51' ' ' GLU . 17.5 tp10 -58.95 -44.27 91.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.03 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 48' ' ' ALA . 60.1 t 71.45 -56.13 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.669 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 51.6 mt-10 59.59 -144.99 0.53 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.708 ' HG2' ' HG3' ' A' ' 53' ' ' ARG . 39.2 tt0 62.74 131.01 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.708 ' HG3' ' HG2' ' A' ' 52' ' ' GLU . 77.0 mtp180 72.89 -40.06 0.46 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.692 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.1 p -55.88 133.83 51.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -67.76 -139.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.66 -42.68 99.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.07 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' C ' HD13 ' A' ' 57' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.527 ' N ' HD23 ' B' ' 4' ' ' LEU . 47.0 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.579 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.2 tp10 -76.21 -26.31 55.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.326 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -86.05 -24.42 26.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.689 0.756 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.627 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.4 mm? -86.29 -42.05 14.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.913 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -83.31 -23.5 32.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.753 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.735 HG21 HD13 ' B' ' 32' ' ' LEU . 6.0 tt -53.92 -50.93 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.856 0.836 . . . . 0.0 109.637 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.837 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -101.75 -4.61 26.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.122 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.97 37.29 17.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.257 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.52 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 26.9 m-20 62.82 130.01 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.13 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.845 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.34 -31.32 26.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.567 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -55.51 -50.59 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.434 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.8 m -72.67 -35.69 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.713 HD21 HD22 ' A' ' 25' ' ' LEU . 4.2 tp -62.8 -59.54 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.508 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' B' ' 18' ' ' ARG . 75.8 mtp180 -43.6 -27.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.034 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.671 ' HA ' ' HG2' ' B' ' 18' ' ' ARG . . . -83.72 -49.34 9.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.826 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.691 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.5 pt20 -66.81 -25.61 66.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.399 0.618 . . . . 0.0 110.008 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -85.6 -18.87 32.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.583 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.671 ' HG2' ' HA ' ' B' ' 15' ' ' ALA . 23.7 mmm180 -39.87 -31.05 0.1 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.193 0.52 . . . . 0.0 109.688 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.82 49.08 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.131 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 17' ' ' ALA . 46.7 t -173.33 152.6 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.559 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.4 m -72.36 167.68 19.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.941 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -56.73 -14.97 3.77 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.767 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -40.31 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.611 0.243 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.662 HG21 HD11 ' B' ' 13' ' ' LEU . 4.7 t -53.92 -42.18 68.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.238 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.978 HD22 HD21 ' A' ' 13' ' ' LEU . 1.1 pp -68.27 -43.44 77.79 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 110.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.924 ' H ' HD12 ' B' ' 25' ' ' LEU . 37.6 tt0 -58.22 -23.77 56.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.1 tt0 -83.87 -53.33 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.634 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 21.2 mmt -89.85 -49.22 6.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.373 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.975 HD12 HD23 ' A' ' 32' ' ' LEU . 22.1 tp -60.84 -33.99 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.533 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 34' ' ' VAL . 32.2 tt0 -66.61 -33.46 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -85.3 -28.34 25.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.739 0.78 . . . . 0.0 109.533 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.895 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.4 tp -64.73 -26.61 68.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.579 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.953 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.2 pt-20 -85.67 -39.45 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.696 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' B' ' 31' ' ' LYS . 14.2 m -65.12 -34.59 71.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.807 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 27.5 m -55.84 -45.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.672 ' HA ' ' HB2' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -81.44 -20.35 10.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.522 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.9 t-20 -53.61 -36.58 62.13 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -82.11 -44.2 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.227 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.931 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.4 -56.27 7.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.902 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.644 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmt180 -46.65 -38.85 10.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -86.11 -50.81 6.74 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.4 tt0 -88.75 -42.57 11.86 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.931 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 44.4 mm-40 -70.25 -45.04 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.93 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -55.12 -33.27 62.72 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.8 -43.28 96.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.497 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.75 91.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.26 73.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.56 91.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.65 -44.2 85.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.607 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 59.5 t 64.98 137.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -161.02 138.23 9.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.98 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -171.0 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.708 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' B' ' 53' ' ' ARG . 33.9 ptt85 -172.61 40.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 71.4 p -80.98 36.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.577 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 52.76 -143.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -67.36 -48.09 68.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.846 0.355 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.483 ' C ' HD13 ' B' ' 57' ' ' LEU . 3.1 tm? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.861 ' HA ' HD23 ' A' ' 4' ' ' LEU . 52.2 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.934 0.397 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 5.5 tp10 -81.16 -30.32 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.59 -26.6 45.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 122.105 0.955 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -84.59 -40.71 17.2 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.303 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 44.9 tptt -76.19 -36.35 58.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.86 -53.42 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 122.523 1.154 . . . . 0.0 108.548 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' B' ' 33' ' ' GLU . 2.3 tt -75.18 -27.06 59.5 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.933 -1.94 . . . . 0.0 108.741 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' THR . 6.2 m120 66.15 6.19 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.607 ' CA ' HD22 ' A' ' 7' ' ' LEU . 34.2 m120 67.98 124.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.399 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.046 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -50.03 -27.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.509 -179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 34.0 ptt85 -53.79 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.24 . . . . 0.0 111.343 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 8' ' ' ASN . 13.2 t -86.98 -29.79 21.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 111.042 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.6 tt -61.72 -60.3 3.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.649 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 68.9 mtp180 -44.89 -31.86 1.4 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.946 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.43 13.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.728 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.5 pt20 -63.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.76 0.791 . . . . 0.0 109.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.4 -20.88 27.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.636 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.5 ttt-85 -44.82 -32.07 1.44 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -91.63 31.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.432 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 58.7 m -164.69 -162.85 0.68 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 111.319 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.2 m -92.05 160.72 15.09 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.01 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -59.67 -13.98 12.02 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.438 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' HD23 ' A' ' 22' ' ' LEU . 2.1 pp20? -39.91 -25.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.63 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.515 HG21 HD21 ' A' ' 13' ' ' LEU . 5.0 t -51.0 -42.2 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.01 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.8 -41.81 78.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.065 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.926 ' N ' HD12 ' A' ' 25' ' ' LEU . 81.7 tt0 -55.8 -24.5 36.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 tt0 -84.27 -53.64 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.02 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -88.96 -46.59 8.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.112 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD12 HD23 ' B' ' 32' ' ' LEU . 38.6 tp -60.67 -23.06 64.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.719 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -78.0 -32.45 51.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.813 ' HA ' HG22 ' A' ' 34' ' ' VAL . 26.1 mmtp -86.62 -33.61 20.09 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.692 0.758 . . . . 0.0 109.866 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.995 HD11 ' HA ' ' B' ' 33' ' ' GLU . 12.0 tp -64.66 -25.5 67.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.195 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.99 -43.87 13.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.771 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 31' ' ' LYS . 27.1 m -64.64 -31.76 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.498 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.782 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 26.9 m -56.43 -45.14 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.685 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -76.28 -35.15 27.0 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.837 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 51.6 t30 -42.83 -39.53 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.51 -46.01 34.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.519 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.822 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.09 -52.34 14.64 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 121.116 0.484 . . . . 0.0 110.901 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.0 mmm180 -43.13 -38.76 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.14 -0.35 . . . . 0.0 110.347 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.49 -45.34 11.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.5 mm-40 -84.8 -43.9 13.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.956 0.408 . . . . 0.0 112.029 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.036 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.2 tm-20 -55.96 -47.84 76.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -55.85 -36.14 67.21 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.08 -40.58 90.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.984 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.91 95.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.418 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -59.01 -40.21 84.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.39 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.57 42.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.577 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.84 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.819 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 47' ' ' ALA . 24.5 m -73.8 57.67 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 112.018 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.48 144.81 24.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -136.43 -41.32 0.63 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 4.5 tmm_? -58.86 -46.17 88.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.3 p -60.86 129.47 41.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.514 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' H ' ' HD2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -66.16 139.38 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.601 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -170.8 54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 110.52 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.917 -179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.455 ' H1 ' HD22 ' B' ' 4' ' ' LEU . 46.8 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.556 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 -75.8 -38.99 57.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.718 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -79.04 -19.98 50.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -82.22 -43.14 18.02 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.915 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.725 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.7 tmtt? -84.7 -23.17 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.965 HG21 HD13 ' B' ' 32' ' ' LEU . 3.7 tt -52.99 -45.47 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.586 0.708 . . . . 0.0 109.418 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.705 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.11 -9.27 17.9 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.59 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.35 34.39 13.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.575 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 34.0 m-20 62.2 126.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.78 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -53.38 -28.72 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.462 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.581 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.3 ptt180 -59.4 -48.32 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.3 m -79.8 -39.92 29.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.59 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 tt -64.18 -53.52 48.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.473 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.838 ' HG2' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -48.59 -29.32 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.15 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' B' ' 18' ' ' ARG . . . -86.24 -50.88 6.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.643 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.3 pt20 -63.45 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.525 0.678 . . . . 0.0 109.969 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.61 -24.09 27.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.256 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.1 ttt-85 -46.05 -32.09 2.65 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -84.26 26.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -161.81 -155.35 0.38 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.369 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 23' ' ' GLU . 49.0 m -96.32 158.35 15.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.002 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -60.83 -13.33 14.73 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.437 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.453 ' H ' HG22 ' B' ' 21' ' ' THR . 43.3 tt0 -40.03 -25.38 0.02 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.624 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -51.74 -37.95 53.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.33 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.002 HD21 HD12 ' B' ' 22' ' ' LEU . 0.7 OUTLIER -67.73 -44.51 77.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.125 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 1.046 ' HA ' HG21 ' A' ' 10' ' ' ILE . 26.0 tt0 -58.65 -21.69 54.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.8 tp10 -82.97 -56.17 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.721 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.3 mmt -90.93 -45.87 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 32' ' ' LEU . 44.3 tp -62.67 -40.65 97.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.992 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' B' ' 26' ' ' GLU . 40.4 tt0 -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 111.082 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.5 mmtp -86.09 -25.13 26.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.594 0.711 . . . . 0.0 109.095 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.966 HD11 ' HA ' ' A' ' 33' ' ' GLU . 17.0 tp -67.8 -26.48 66.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.798 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.995 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.3 pt-20 -83.84 -38.56 21.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.97 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' B' ' 31' ' ' LYS . 26.2 m -72.08 -38.17 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.3 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.519 HG12 ' C ' ' B' ' 32' ' ' LEU . 7.2 p -55.97 -48.94 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.772 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.5 p -79.36 -32.52 14.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.755 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 33.7 t30 -42.72 -43.16 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 109.717 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.27 -42.45 93.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.749 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.036 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.11 -49.73 22.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.567 179.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.772 ' HG2' HG22 ' B' ' 36' ' ' VAL . 7.1 mmm180 -45.06 -41.39 7.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.861 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 42' ' ' GLU . 16.8 pt-20 -88.06 -46.53 9.25 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 41' ' ' GLU . 55.8 mt-10 -87.27 -43.97 11.78 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.822 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 25.4 tp10 -59.56 -45.8 90.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.786 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -57.97 -35.54 71.31 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.31 -41.61 96.75 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.998 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.563 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . . . -62.64 -41.97 99.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.398 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.48 78.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.769 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.68 -45.32 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.491 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.563 ' HG3' ' HA ' ' B' ' 46' ' ' ALA . 0.9 OUTLIER -76.42 0.01 21.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' B' ' 51' ' ' GLU . 12.7 p -45.94 -32.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.264 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 50' ' ' VAL . 88.1 tt0 67.61 132.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -179.71 50.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' B' ' 53' ' ' ARG . 51.5 ttt-85 -158.29 -38.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.751 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 71.3 p -53.34 144.84 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.98 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -75.29 40.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.163 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -68.7 134.26 49.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.658 0.266 . . . . 0.0 110.65 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.842 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.728 ' HA ' HD23 ' A' ' 4' ' ' LEU . 40.4 t . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.7 tt0 -80.16 -26.74 39.19 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.235 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.636 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.86 -26.73 44.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.918 0.866 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.728 HD23 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -84.89 -37.37 20.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.392 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.636 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.18 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.845 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.67 -53.11 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.487 0.66 . . . . 0.0 109.617 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -95.64 -8.58 34.44 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.031 178.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 m120 62.76 28.65 16.58 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.749 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 50.6 m-20 63.51 129.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.174 0.511 . . . . 0.0 111.68 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -59.69 -21.09 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.591 179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 39.0 ptt180 -60.19 -55.82 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 8' ' ' ASN . 14.8 t -78.74 -31.97 46.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 13' ' ' LEU . 5.8 tt -61.4 -46.07 91.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.227 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.654 ' HD2' HD21 ' B' ' 22' ' ' LEU . 24.4 tpt180 -43.14 -38.74 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.631 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . . . -87.25 -41.36 13.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.042 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 41.0 tt0 -55.63 -42.02 74.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.027 0.917 . . . . 0.0 109.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . . . -88.41 -19.69 26.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . 29.3 tpt180 -44.34 -30.0 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.191 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -94.05 35.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.446 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 80.8 p -169.7 -163.55 0.39 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.046 0.451 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 28.2 m -96.9 165.89 11.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.948 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -59.81 -15.08 18.03 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.585 0.231 . . . . 0.0 110.485 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -40.48 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.784 0.326 . . . . 0.0 110.574 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.6 -42.08 64.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.979 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -66.69 -44.96 80.32 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.985 0.422 . . . . 0.0 110.083 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.979 ' H ' HD12 ' A' ' 25' ' ' LEU . 37.9 tt0 -54.33 -25.91 26.71 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.0 mm-40 -82.8 -52.72 6.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.969 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.6 mtt -88.93 -46.36 8.96 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.234 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 14.2 tp -52.6 -42.02 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.371 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 21.8 tp10 -64.06 -31.33 72.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.518 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 34' ' ' VAL . 23.6 mmtp -85.19 -36.49 20.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.067 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.9 tp -66.63 -21.57 66.12 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.843 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.981 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -85.94 -44.02 12.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.312 179.109 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 31' ' ' LYS . 32.9 m -68.6 -34.99 68.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.184 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.799 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 7.3 p -55.92 -50.29 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 8.1 p -80.62 -19.47 11.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.117 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 52.1 t30 -54.61 -41.77 70.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 94.8 mt-10 -73.45 -42.41 62.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.197 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.005 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.75 -48.28 66.87 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.475 0.655 . . . . 0.0 110.889 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.791 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.3 mmm180 -48.19 -44.45 32.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.714 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 12.4 pt-20 -84.4 -35.26 23.24 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.6 tp10 -77.27 -39.6 47.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 111.59 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.997 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 24.0 mm-40 -59.61 -47.36 85.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -34.82 68.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.84 -41.48 82.9 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.464 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.06 93.63 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.925 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.62 70.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.353 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.49 -41.94 83.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.87 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 12.5 pt-20 -66.8 -44.77 80.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.856 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 51' ' ' GLU . 8.1 p -63.57 -48.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.652 0.263 . . . . 0.0 111.606 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 50' ' ' VAL . 55.1 mt-10 -83.01 129.02 34.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -151.65 -63.08 0.18 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.659 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -158.5 -46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 p -80.35 135.1 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 55' ' ' ARG . 41.6 mmt-85 -64.07 -36.97 85.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.776 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 27.2 tptp 62.66 47.11 4.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD23 ' H ' ' A' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.813 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.527 ' HA ' HD23 ' B' ' 4' ' ' LEU . 54.3 m . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.599 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 96.0 mt-10 -74.26 -28.43 61.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.226 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -71.52 -27.38 63.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.816 0.817 . . . . 0.0 110.401 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.564 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.9 mm? -84.01 -41.98 16.68 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.417 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -85.06 -23.33 28.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.532 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.713 HG23 ' H ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -54.61 -60.63 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.53 -10.86 55.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.133 178.25 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 61.02 33.99 19.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.672 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 3.3 m120 61.65 127.24 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.573 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.783 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -58.25 -28.18 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.28 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.0 ptt180 -59.74 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.992 0.425 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 95.3 m -78.01 -38.24 45.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.072 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.641 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.2 tt -62.54 -52.83 61.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.307 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.948 ' HG3' HD21 ' A' ' 22' ' ' LEU . 43.3 ttt-85 -47.5 -31.51 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.352 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.75 -50.16 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 12.2 pt20 -62.42 -33.97 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.492 0.663 . . . . 0.0 109.837 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.73 -23.92 27.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.216 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.9 tpt180 -45.09 -31.57 1.43 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.013 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.2 29.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.419 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.2 p -165.12 -156.02 0.28 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.935 0.398 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.533 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.3 m -99.5 164.89 11.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.787 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.025 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.58 -14.09 11.94 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.542 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 16.7 pt-20 -40.04 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.468 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.1 t -52.29 -41.09 62.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.117 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.025 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -69.33 -45.14 70.19 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.151 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.935 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.8 tt0 -55.11 -25.12 29.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 24.3 tt0 -83.37 -54.03 5.29 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.193 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.06 -46.27 8.98 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 7' ' ' LEU . 43.9 tp -55.65 -39.23 70.62 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.561 ' O ' HG13 ' B' ' 34' ' ' VAL . 42.6 tt0 -65.17 -29.42 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.6 mmtp -87.43 -32.22 19.63 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.601 0.715 . . . . 0.0 109.737 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.981 HD11 ' HA ' ' A' ' 33' ' ' GLU . 40.9 tp -67.32 -23.63 65.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.764 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.122 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -85.64 -41.03 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.787 178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' B' ' 31' ' ' LYS . 24.7 m -68.36 -35.16 69.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.13 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.772 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.3 p -56.83 -49.63 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.3 p -81.13 -18.95 11.61 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.054 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 50.1 t30 -56.72 -42.9 80.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.585 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 57.0 mm-40 -69.89 -43.23 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.849 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.997 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.07 -50.99 51.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.494 0.664 . . . . 0.0 110.453 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' B' ' 36' ' ' VAL . 5.4 mmm180 -44.91 -43.39 8.88 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.311 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -79.96 -41.31 26.23 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 44.1 tp10 -77.88 -42.01 34.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.201 0.524 . . . . 0.0 111.661 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.005 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 13.0 mm-40 -54.84 -48.68 72.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -57.46 -35.45 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.06 -40.56 87.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.233 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.501 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -62.53 -41.3 98.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 51' ' ' GLU . . . -68.6 -40.97 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.25 84.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.501 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 16.2 pt-20 -67.5 -44.51 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.435 HG13 ' O ' ' B' ' 46' ' ' ALA . 30.9 m -61.69 -43.36 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.613 0.244 . . . . 0.0 111.556 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 47' ' ' ALA . 96.6 mt-10 -62.82 126.44 27.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -155.54 152.05 28.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.412 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -75.92 44.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 68.7 p -149.13 -39.4 0.15 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.9 OUTLIER 64.95 129.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.578 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 3.4 mmmp? -66.92 137.48 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.813 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.885 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.75 ' H ' HH12 ' B' ' 40' ' ' ARG . 39.4 tt0 -73.32 -29.19 62.51 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' B' ' 40' ' ' ARG . . . -76.04 -25.98 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.853 0.835 . . . . 0.0 110.375 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -84.98 -40.35 17.02 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.372 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.31 -21.66 30.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.697 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.929 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.56 -49.25 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-O 121.88 0.848 . . . . 0.0 109.118 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.76 -10.88 22.47 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.946 179.368 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.9 31.43 11.48 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.757 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.579 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 60.04 126.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.69 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -56.03 -27.1 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.628 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 35.3 ptt180 -62.15 -53.37 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.3 m -70.25 -33.06 71.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.326 0.584 . . . . 0.0 110.218 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.853 HD21 HD22 ' B' ' 25' ' ' LEU . 6.8 tp -63.19 -56.4 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.809 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.2 tpt180 -45.05 -28.64 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.36 -49.81 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.482 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.65 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 8.4 pt20 -65.1 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 109.817 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.49 -19.01 30.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -43.25 -30.61 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.732 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -101.56 41.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.661 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' ALA . 46.7 t -172.64 171.7 4.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -73.21 175.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.494 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -72.72 -13.93 61.45 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.439 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 39.2 tt0 -39.83 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.0 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.71 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -51.53 -39.98 58.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.101 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.953 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -68.28 -44.0 76.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.026 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.953 ' H ' HD12 ' A' ' 25' ' ' LEU . 68.7 tt0 -54.2 -25.33 22.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 45.0 mm-40 -82.87 -54.54 5.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.782 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.538 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 21.4 mmt -89.3 -46.32 8.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.235 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.897 HD12 HD23 ' B' ' 32' ' ' LEU . 25.2 tp -56.16 -39.71 72.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.09 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' VAL . 40.9 tt0 -65.22 -29.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.443 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 62.9 mmtt -87.97 -37.77 16.11 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.748 0.785 . . . . 0.0 110.275 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.98 HD23 HD12 ' B' ' 29' ' ' LEU . 18.0 tp -61.35 -24.47 66.48 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.485 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.92 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -84.64 -29.02 26.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.075 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 30' ' ' GLU . 10.6 t -68.25 -44.17 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.789 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 17.4 m -51.61 -42.44 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.668 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -86.98 -20.46 7.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.407 177.144 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 11.9 t-20 -57.46 -41.02 79.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.647 ' HG3' ' HD2' ' A' ' 39' ' ' ARG . 10.7 pt-20 -82.87 -42.18 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.316 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.789 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.02 -56.36 7.16 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.627 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 16.6 mmm180 -45.66 -38.72 7.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.559 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.31 -42.9 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 67.5 mm-40 -84.46 -43.84 14.23 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.998 0.428 . . . . 0.0 112.014 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.093 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 5.1 tp10 -59.97 -48.7 80.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.16 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -53.73 -34.27 58.36 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.43 -43.54 76.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.364 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -62.1 -41.35 98.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.12 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.47 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.769 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.48 89.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.83 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 24.8 pt-20 -64.13 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.379 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 49' ' ' GLU . 94.7 t 71.5 -63.45 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 50' ' ' VAL . 41.6 tt0 71.59 -35.14 0.32 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.37 -0.377 . . . . 0.0 112.008 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.2 mm-40 -60.96 -49.11 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -67.59 -41.5 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 51' ' ' GLU . 80.7 p -64.01 136.98 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 9.2 mpt_? -63.59 -50.65 68.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LYS . 38.0 ttpt 55.34 47.36 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.114 0.483 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.484 ' HB3' HD22 ' B' ' 4' ' ' LEU . 50.1 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.7 tt0 -77.87 -27.77 49.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.668 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -74.64 -22.86 58.69 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.969 0.89 . . . . 0.0 110.295 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -84.29 -44.98 13.31 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.154 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -81.11 -25.83 36.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.314 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.883 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.3 -61.4 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.85 -9.96 58.37 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.041 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 60.45 34.84 20.46 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.551 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 31.6 m-20 60.82 128.62 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.516 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.739 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -57.42 -27.86 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.711 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -56.84 -51.15 70.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.504 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.0 m -82.64 -37.42 24.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.519 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.658 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.1 tt -62.76 -56.79 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.776 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 30.7 ttt85 -44.0 -34.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.322 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.98 -48.55 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.331 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 6.3 pt20 -61.83 -36.8 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.739 0.78 . . . . 0.0 109.787 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.45 -22.12 26.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.9 tpt180 -46.19 -31.03 2.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.928 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.44 28.83 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.422 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -165.25 -157.76 0.35 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.285 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.4 p -92.94 166.65 12.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.381 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.92 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -63.05 -13.73 39.39 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.001 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.481 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.8 tp10 -38.96 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.622 0.248 . . . . 0.0 110.842 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.482 HG22 HD11 ' B' ' 13' ' ' LEU . 51.7 m -51.56 -43.4 62.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.947 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.3 pp -68.41 -44.46 74.97 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.239 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.947 ' N ' HD12 ' B' ' 25' ' ' LEU . 34.0 tt0 -56.44 -24.78 47.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.3 tp10 -83.49 -57.4 3.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.942 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.8 mtt -89.31 -45.17 9.7 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.98 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 tp -58.97 -29.42 67.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.683 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.565 ' O ' HG13 ' B' ' 34' ' ' VAL . 34.2 tt0 -71.35 -31.33 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 110.427 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.697 ' HA ' HG22 ' B' ' 34' ' ' VAL . 57.3 mmtt -86.34 -27.59 24.2 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.609 0.719 . . . . 0.0 109.595 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.934 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 18.9 tp -68.07 -26.05 65.65 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.659 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.979 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -84.19 -35.49 23.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.51 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.1 m -71.54 -37.85 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.236 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 36' ' ' VAL . 16.4 m -55.22 -48.01 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' B' ' 40' ' ' ARG . 5.9 p -82.45 -19.59 10.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.644 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 35.4 t30 -57.77 -37.97 74.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -74.54 -40.39 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.454 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.093 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -75.27 -48.03 25.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.281 0.562 . . . . 0.0 110.77 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.84 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.3 mmm-85 -46.01 -41.06 11.42 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.014 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -86.71 -45.5 10.9 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.9 mm-40 -87.78 -46.74 9.19 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.718 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 28.6 tp10 -62.57 -47.03 85.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -59.03 -32.62 69.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.71 -41.49 92.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.258 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.78 98.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.451 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.21 64.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.339 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -65.43 -39.31 91.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.105 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -56.37 -44.42 80.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 48' ' ' ALA . 33.6 t 58.29 64.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.038 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.73 49.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 39.1 tt0 -169.3 40.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.154 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' B' ' 53' ' ' ARG . 10.8 tpt180 -175.59 40.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.0 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 69.7 p -147.44 -137.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.758 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' B' ' 55' ' ' ARG . 40.3 mmt-85 -138.41 136.36 36.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 56' ' ' LYS . 37.9 ttpt -171.05 42.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.192 0.52 . . . . 0.0 110.438 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.625 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.553 ' HA ' HD22 ' A' ' 4' ' ' LEU . 81.0 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -73.2 -27.64 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.83 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.67 -20.82 58.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.895 0.855 . . . . 0.0 110.036 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.47 -45.05 11.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.222 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -80.54 -24.42 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.363 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.709 HG23 ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -53.33 -55.73 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.85 0.833 . . . . 0.0 109.283 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.932 HD13 HD21 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -7.44 48.2 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.577 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.448 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 m120 61.78 33.09 17.99 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.636 ' HB3' HH11 ' A' ' 11' ' ' ARG . 36.1 m-20 63.84 129.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.135 0.493 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' B' ' 30' ' ' GLU . 16.4 pt -55.81 -26.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.211 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.636 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.2 ptp85 -53.88 -54.16 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 13.1 t -88.41 -31.04 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.7 tm? -62.2 -53.85 49.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.672 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.903 ' HA ' HD11 ' B' ' 22' ' ' LEU . 22.4 ptt85 -53.24 -31.58 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.965 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.21 -50.88 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.597 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.4 pt20 -61.46 -33.64 74.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 109.769 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.21 -22.83 26.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.159 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.9 tpt85 -48.72 -31.81 7.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.721 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 16.4 pt-20 -58.67 -37.88 76.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -96.96 -137.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.843 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.9 m -123.81 -176.81 3.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.98 -16.75 33.01 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.061 0.458 . . . . 0.0 110.281 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.9 tt0 -43.53 -26.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.348 0.594 . . . . 0.0 110.109 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.68 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -57.96 -40.57 80.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.759 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.31 -45.25 66.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.492 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.949 ' H ' HD12 ' A' ' 25' ' ' LEU . 15.7 pt-20 -55.81 -22.93 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.2 tp10 -83.4 -55.48 4.29 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.638 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.26 -47.58 7.96 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.869 HD12 HD23 ' B' ' 32' ' ' LEU . 50.8 tp -55.08 -34.2 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.701 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.055 ' HB2' HD13 ' B' ' 10' ' ' ILE . 16.1 tp10 -66.63 -36.41 82.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 34' ' ' VAL . 57.0 mmtt -74.91 -25.45 58.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' B' ' 33' ' ' GLU . 18.2 tp -72.65 -29.44 63.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.892 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.052 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -84.45 -32.74 23.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.467 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.8 m -72.65 -40.83 62.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.293 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.766 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 11.5 m -52.95 -49.28 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.871 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.0 p -84.59 -18.44 9.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.802 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 21.8 t30 -56.82 -39.57 74.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.06 -40.5 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.796 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.928 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.94 -53.36 21.27 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.635 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.5 mmm180 -44.96 -42.4 8.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.43 -42.11 17.33 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 tp10 -84.23 -45.06 13.29 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.788 ' HG2' ' HG2' ' B' ' 43' ' ' GLU . 1.6 tm-20 -55.27 -49.92 70.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.265 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.8 m -57.68 -35.84 71.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -63.82 -41.04 97.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.062 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.37 95.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.691 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.945 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.5 -47.52 81.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.64 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.3 p -63.98 -47.87 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.735 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 50' ' ' VAL . 17.7 tp10 -78.57 125.85 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 111.187 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' OE2' ' HB ' ' A' ' 54' ' ' THR . 38.7 tt0 177.43 130.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.035 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -77.21 40.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.485 ' HB ' ' OE2' ' A' ' 52' ' ' GLU . 8.6 t -67.35 -34.43 77.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.596 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 69.19 134.61 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -79.98 45.71 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 57' ' ' LEU . 7.0 mp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.108 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.642 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 54.4 mt-10 -73.01 -14.43 61.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.708 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -75.07 -32.49 61.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.513 1.149 . . . . 0.0 109.559 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.509 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.2 mt -86.01 -47.76 9.29 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 112.984 -1.916 . . . . 0.0 110.328 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -71.91 -29.17 64.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.058 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.891 HD12 ' HB2' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.35 -49.11 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.287 1.041 . . . . 0.0 108.707 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.1 -16.2 28.21 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.926 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' B' ' 4' ' ' LEU . 51.6 t-20 60.59 30.04 19.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.548 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.53 ' N ' ' HG ' ' B' ' 7' ' ' LEU . 25.0 m-20 63.11 125.81 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.642 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.055 HD13 ' HB2' ' A' ' 30' ' ' GLU . 20.7 pt -51.57 -27.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.45 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.5 ptm180 -59.08 -51.21 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -80.74 -37.02 31.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 110.723 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.6 tm? -62.24 -49.81 74.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.45 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.751 ' HA ' HD11 ' A' ' 22' ' ' LEU . 25.4 ttt85 -52.09 -34.49 44.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.716 0.294 . . . . 0.0 111.565 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.88 -50.1 8.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.593 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 11.9 pt20 -63.29 -33.16 74.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 109.901 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' B' ' 24' ' ' THR . . . -85.79 -22.74 27.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.654 ' NH1' HG21 ' A' ' 21' ' ' THR . 26.6 tpt180 -48.95 -29.68 5.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.331 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 -138.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.875 HG22 ' H ' ' B' ' 22' ' ' LEU . 2.1 m -118.76 -161.88 0.87 Allowed 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.109 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -69.95 -16.04 63.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.202 0.525 . . . . 0.0 109.764 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.764 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 89.1 tt0 -43.45 -25.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.446 0.641 . . . . 0.0 110.131 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.634 HG21 ' HB1' ' B' ' 17' ' ' ALA . 4.4 t -57.66 -40.12 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.507 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.109 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -69.92 -44.57 69.38 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.277 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 11.2 pt-20 -54.73 -22.57 14.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 79.7 tt0 -84.38 -54.96 4.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.29 -45.22 10.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.814 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.932 HD21 HD13 ' A' ' 7' ' ' LEU . 12.4 tp -60.32 -18.75 51.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.327 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.971 ' HB2' HD13 ' A' ' 10' ' ' ILE . 5.1 tp10 -82.37 -33.19 28.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.495 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.706 ' HA ' HG22 ' B' ' 34' ' ' VAL . 22.4 mmtp -86.13 -32.05 21.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.865 0.84 . . . . 0.0 109.479 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.052 HD11 ' HA ' ' A' ' 33' ' ' GLU . 10.3 tp -71.52 -22.87 61.72 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.296 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.884 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.38 -39.03 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.258 178.365 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.761 HG13 ' O ' ' B' ' 30' ' ' GLU . 32.3 m -65.51 -37.38 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.175 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.787 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 19.4 m -53.14 -45.45 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.83 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -81.52 -20.87 10.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.6 177.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 32.8 t30 -58.23 -35.16 71.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.23 -42.47 17.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.249 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.787 ' HD2' ' O ' ' B' ' 35' ' ' VAL . 0.0 OUTLIER -73.17 -55.11 6.91 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.238 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.696 HH21 HG12 ' A' ' 35' ' ' VAL . 22.4 mmt180 -43.95 -38.46 3.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -86.14 -42.86 13.52 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 17.7 tp10 -85.15 -46.5 11.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.928 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -52.99 -50.69 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.1 m -58.09 -35.91 72.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.92 -41.37 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.386 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.536 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -64.31 -43.1 95.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.587 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.23 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.45 85.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.82 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 46' ' ' ALA . 97.7 t -61.95 -53.96 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.237 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.06 132.58 43.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 178.74 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 66.05 36.33 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.564 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 92.2 m -71.93 124.33 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.71 135.86 40.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.719 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.579 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 3.2 mmmp? -66.61 -139.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.753 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.653 ' H1 ' HD22 ' A' ' 4' ' ' LEU . 47.7 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' HB3' ' HG2' ' B' ' 40' ' ' ARG . 43.6 tp10 -78.7 -35.97 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.7 -20.82 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.974 0.892 . . . . 0.0 110.004 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.653 HD22 ' H1 ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -85.67 -44.36 12.64 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.154 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.686 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -82.42 -23.89 34.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.22 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.884 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -52.91 -56.48 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 CA-C-O 121.752 0.787 . . . . 0.0 109.29 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -7.65 46.62 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.595 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' HB ' ' A' ' 12' ' ' THR . 74.7 m-80 60.1 31.37 20.55 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.027 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 33.5 m-20 62.33 130.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.219 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.779 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.49 -26.09 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.716 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.3 ptt180 -61.67 -50.28 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.462 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.3 m -74.63 -40.45 61.5 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 5.9 tt -62.98 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.829 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.9 tpt180 -46.27 -32.03 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.213 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.54 -49.9 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.648 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.3 pt20 -65.23 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 109.976 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.57 -19.33 29.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.617 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -41.87 -30.22 0.25 Allowed 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.064 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -109.26 46.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.578 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' ALA . 43.8 t -167.81 173.62 8.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 111.402 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.6 m -78.42 160.15 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.42 -15.25 35.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.535 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -40.54 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.841 0.353 . . . . 0.0 110.465 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.57 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.0 -43.16 63.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.785 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.81 -44.51 81.02 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.931 ' N ' HD12 ' A' ' 25' ' ' LEU . 32.1 tt0 -53.19 -26.97 19.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.3 tt0 -83.23 -50.4 8.45 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.012 178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -88.4 -48.99 7.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 111.834 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.898 HD12 HD23 ' B' ' 32' ' ' LEU . 40.9 tp -54.0 -39.79 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.017 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.679 ' O ' HG13 ' A' ' 34' ' ' VAL . 37.4 tt0 -62.88 -32.87 74.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.942 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.669 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 mmtp -86.48 -29.65 22.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.678 0.751 . . . . 0.0 109.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' B' ' 33' ' ' GLU . 13.5 tp -67.26 -25.75 66.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.812 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.969 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.5 pp20? -86.02 -39.1 17.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.979 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 30' ' ' GLU . 17.9 m -65.57 -36.42 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG21 HG21 ' B' ' 36' ' ' VAL . 14.3 m -55.95 -48.8 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -79.09 -20.34 12.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.523 178.11 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 46.6 t30 -55.44 -39.92 70.9 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -79.11 -42.64 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.444 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.871 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.66 -53.58 11.39 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.843 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.676 HH11 ' HA ' ' A' ' 40' ' ' ARG . 4.2 mmm180 -45.27 -39.44 6.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.12 -41.49 15.66 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.3 mm-40 -85.85 -46.05 10.99 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -54.68 -49.62 70.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -57.6 -36.1 71.31 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.57 -43.64 98.32 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.317 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -65.53 -41.55 92.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.57 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.36 87.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.95 -38.05 79.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.456 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.56 -42.42 92.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 46' ' ' ALA . 39.9 t -77.61 61.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -155.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -150.92 -42.94 0.12 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 53' ' ' ARG . 57.6 mtm-85 -58.09 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.251 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.8 m -62.57 135.96 57.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.738 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -174.18 141.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 56' ' ' LYS . 62.6 tttp -77.53 49.11 0.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.73 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.746 ' N ' HD23 ' B' ' 4' ' ' LEU . 25.3 t . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.417 0.151 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.495 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.581 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -77.22 -22.88 51.61 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.883 0.849 . . . . 0.0 110.287 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.746 HD23 ' N ' ' B' ' 1' ' ' SER . 1.6 mm? -84.95 -39.49 18.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.491 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.0 tptp -84.86 -25.58 27.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -55.09 -48.23 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.579 0.704 . . . . 0.0 109.762 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.871 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -99.93 -11.85 20.3 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.258 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.491 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 64.4 m-80 66.85 29.81 8.15 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.519 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 35.9 m-20 61.05 130.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.415 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.725 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -54.7 -26.35 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.696 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.519 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 34.1 ptt85 -62.4 -51.86 65.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.5 m -70.15 -36.8 74.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.702 HD11 HG21 ' B' ' 24' ' ' THR . 9.2 tp -64.91 -55.02 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.93 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' A' ' 22' ' ' LEU . 33.9 tpt85 -44.93 -27.99 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.88 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.334 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.62 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 8.0 pt20 -63.88 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 0.0 109.86 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -86.25 -19.25 30.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.4 ttt180 -43.0 -27.15 0.17 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.341 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' B' ' 17' ' ' ALA . 11.8 pt-20 -112.62 44.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.406 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.2 p -166.55 -170.44 1.62 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.043 0.449 . . . . 0.0 111.717 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.472 HG22 ' N ' ' B' ' 22' ' ' LEU . 45.7 m -92.02 159.4 15.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.175 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -62.28 -13.78 31.96 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.609 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.561 ' N ' HD23 ' B' ' 22' ' ' LEU . 39.3 tt0 -39.61 -25.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.716 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.702 HG21 HD11 ' B' ' 13' ' ' LEU . 4.9 t -53.05 -41.65 65.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.945 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -66.76 -45.09 79.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.923 0.392 . . . . 0.0 110.285 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.929 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.7 tt0 -56.47 -24.59 46.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.72 -57.37 3.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.937 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.666 ' SD ' HD22 ' B' ' 13' ' ' LEU . 22.1 ptp -89.89 -44.84 9.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.804 HD21 HD13 ' A' ' 7' ' ' LEU . 14.9 tp -58.8 -30.47 67.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.934 0.397 . . . . 0.0 110.192 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.764 ' O ' HG13 ' B' ' 34' ' ' VAL . 40.5 tt0 -69.75 -33.41 72.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.67 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.01 -28.07 24.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.609 0.719 . . . . 0.0 109.712 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.969 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.2 tp -67.85 -25.76 65.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.088 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -86.08 -34.39 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.471 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.764 HG13 ' O ' ' B' ' 30' ' ' GLU . 14.1 m -69.21 -36.99 75.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.63 HG21 HG21 ' A' ' 36' ' ' VAL . 9.9 m -55.85 -46.05 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -80.19 -27.58 11.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.474 -0.491 . . . . 0.0 109.994 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.566 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.8 t-20 -46.66 -41.24 14.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.26 -46.5 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.122 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -70.89 -59.18 2.94 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.299 0.571 . . . . 0.0 111.57 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 36' ' ' VAL . 28.9 tpt85 -44.46 -38.49 4.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.051 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.86 -45.95 10.38 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 88.9 tt0 -79.43 -39.43 32.36 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.871 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.5 tm-20 -55.12 -48.31 73.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.076 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -57.13 -36.62 70.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.57 -41.54 96.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.306 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.55 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.59 -42.02 99.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.536 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.32 97.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.586 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.96 92.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.901 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -58.51 -39.12 79.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 46' ' ' ALA . 94.7 t -55.38 -45.47 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.201 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.669 ' HG2' ' H ' ' B' ' 52' ' ' GLU . 70.2 tt0 55.74 -137.3 1.13 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.669 ' H ' ' HG2' ' B' ' 51' ' ' GLU . 17.6 tp10 179.2 -42.84 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.748 0.309 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.527 ' H ' ' HD2' ' B' ' 53' ' ' ARG . 8.8 mpt_? -60.39 -51.56 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.26 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.6 p -64.67 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' B' ' 56' ' ' LYS . 38.6 ptt180 -173.52 35.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 23.3 tptm 72.25 -54.39 0.68 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.591 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.501 HD12 ' N ' ' B' ' 57' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.507 ' N ' HD23 ' A' ' 4' ' ' LEU . 53.9 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 5.4 tp10 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.54 -24.72 33.9 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.653 0.74 . . . . 0.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.9 mm? -84.27 -34.7 23.75 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.645 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 18.8 tptm -85.03 -29.31 25.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.42 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.97 HG21 HD13 ' A' ' 32' ' ' LEU . 4.4 tt -55.03 -45.8 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.349 0.595 . . . . 0.0 110.272 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.052 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -104.98 -8.56 18.49 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.736 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 72.9 m-80 63.54 35.8 11.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.816 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 32.3 m-20 61.37 127.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.198 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.828 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -59.75 -53.67 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.551 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -68.12 -33.72 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.873 HD21 HD22 ' B' ' 25' ' ' LEU . 5.7 tp -62.1 -59.61 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.492 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.767 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.1 mtp180 -43.46 -29.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.282 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 -49.86 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.993 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.64 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.5 pt20 -67.42 -32.58 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.406 0.622 . . . . 0.0 110.259 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.33 -20.02 28.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.452 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 39.6 ttt85 -43.88 -28.01 0.4 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -108.38 40.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.599 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.9 m -164.29 -168.21 1.49 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.137 0.494 . . . . 0.0 111.57 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 22' ' ' LEU . 71.1 m -92.61 158.75 15.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.533 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.029 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -58.23 -14.0 6.26 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -40.59 -25.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 110.63 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.644 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -52.13 -38.57 57.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.029 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.97 -48.88 50.89 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 1.019 ' H ' HD12 ' A' ' 25' ' ' LEU . 12.6 pt-20 -55.8 -20.35 14.79 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.518 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.2 tt0 -82.99 -55.62 4.27 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.767 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 mmt -88.8 -45.37 9.81 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.636 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.985 HD12 HD23 ' B' ' 32' ' ' LEU . 19.6 tp -54.04 -38.93 65.73 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.045 ' HB2' HD13 ' B' ' 10' ' ' ILE . 33.4 tt0 -64.17 -33.64 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.36 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HA ' HG22 ' A' ' 34' ' ' VAL . 21.2 mmtp -86.08 -30.37 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.815 0.817 . . . . 0.0 109.625 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.117 HD11 ' HA ' ' B' ' 33' ' ' GLU . 24.3 tp -69.01 -24.51 64.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.934 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.967 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.5 pt-20 -86.19 -41.61 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.547 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 31' ' ' LYS . 21.6 m -63.86 -35.51 73.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.189 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.814 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 9.5 m -55.98 -50.39 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.15 -20.33 15.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.372 178.11 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' OD1' HD11 ' B' ' 4' ' ' LEU . 49.8 t30 -55.09 -40.95 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.92 -46.83 14.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.353 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -63.61 -51.81 63.63 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 22.1 mmm180 -50.94 -46.4 60.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.83 -36.82 73.07 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -82.32 -31.98 29.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.875 0.369 . . . . 0.0 111.805 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.1 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.9 mm-40 -67.64 -48.37 66.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -57.24 -31.98 66.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' A' ' 49' ' ' GLU . . . -71.63 -45.67 61.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.769 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.42 96.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 50' ' ' VAL . . . -70.72 -36.01 73.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.505 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.44 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.076 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 24.9 pt-20 -80.25 -47.36 14.73 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 47' ' ' ALA . 35.8 m 40.63 34.18 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.841 0.353 . . . . 0.0 111.344 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 177.83 134.65 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 54' ' ' THR . 55.9 mt-10 -89.42 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 47.8 ttm-85 -75.1 32.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.485 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 52' ' ' GLU . 82.0 p -78.14 -50.56 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.048 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.98 137.0 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.495 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.58 -42.75 99.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.704 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.008 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.471 ' HA ' HD22 ' B' ' 4' ' ' LEU . 47.1 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 94.4 mt-10 -71.55 -28.08 63.62 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.758 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -70.64 -25.06 62.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.88 0.848 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -84.14 -45.9 12.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.529 -179.384 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.628 ' HD3' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -83.21 -21.47 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.744 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.928 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.63 -61.54 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.906 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.33 -10.07 59.63 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' B' ' 5' ' ' LYS . 50.7 t30 60.25 36.9 20.74 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.685 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.579 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 34.1 m-20 61.27 128.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.443 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.045 HD13 ' HB2' ' A' ' 30' ' ' GLU . 22.6 pt -59.05 -32.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.738 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.579 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.1 ptm180 -52.22 -50.04 62.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.5 m -79.99 -35.51 37.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.447 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.655 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.3 tt -63.85 -58.89 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.088 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.998 ' HA ' HD11 ' A' ' 22' ' ' LEU . 12.1 ptm180 -46.9 -29.71 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.59 0.234 . . . . 0.0 110.973 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.51 -50.21 10.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.542 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 6.8 pt20 -63.41 -35.61 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.787 0.803 . . . . 0.0 109.738 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.48 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -86.05 -20.87 28.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 55.4 ttt-85 -44.23 -30.74 0.84 Allowed 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.18 34.3 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.365 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 17' ' ' ALA . 54.8 m -162.48 -162.65 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.546 HG22 ' N ' ' B' ' 22' ' ' LEU . 31.3 m -96.34 165.27 12.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.878 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -56.69 -14.58 3.41 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.628 0.251 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -39.49 -29.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.834 0.349 . . . . 0.0 110.57 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -52.46 -43.71 65.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.315 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.921 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.3 pp -68.7 -44.83 73.12 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 38.9 tt0 -55.25 -23.04 20.64 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 28.0 tt0 -82.03 -52.41 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.5 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.703 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 23.8 mmt -89.47 -47.4 8.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.872 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 1.052 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.4 tp -56.37 -41.64 76.55 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.07 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' A' ' 10' ' ' ILE . 34.7 tt0 -63.14 -32.95 74.46 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.487 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.48 -31.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.665 0.745 . . . . 0.0 109.466 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.985 HD23 HD12 ' A' ' 29' ' ' LEU . 11.0 tp -68.31 -25.53 65.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.008 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.117 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.2 pt-20 -86.0 -46.34 10.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.165 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 31' ' ' LYS . 28.0 m -62.49 -33.73 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.804 HG22 HG11 ' A' ' 36' ' ' VAL . 7.7 p -58.75 -46.05 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.73 -20.45 12.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 121.184 0.516 . . . . 0.0 109.716 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.523 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.1 OUTLIER -55.21 -38.61 68.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.71 -40.77 24.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.248 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.1 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -71.92 -54.18 10.82 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.621 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 24.4 mmm180 -45.05 -40.57 6.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.27 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 24.8 pt-20 -85.67 -39.79 16.87 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 39.5 tt0 -84.82 -47.11 10.7 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.835 ' HG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -54.51 -49.73 69.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -59.03 -35.71 73.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.31 -41.45 98.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.295 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.444 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -61.56 -42.11 98.36 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.579 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.37 78.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.291 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.82 -46.02 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.86 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 45' ' ' ALA . 16.5 pt-20 -65.77 -41.86 91.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.442 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 68.1 t 64.2 -81.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.995 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -77.78 -138.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.775 ' HG3' HG22 ' B' ' 54' ' ' THR . 17.4 tp10 -168.3 138.14 2.5 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -75.13 57.23 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.823 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.775 HG22 ' HG3' ' B' ' 52' ' ' GLU . 10.1 t -165.92 43.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.052 0.453 . . . . 0.0 111.197 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.433 ' HB2' ' H ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -66.68 -151.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.338 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.611 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 7.9 mtpm? -71.81 -139.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.448 HD23 ' C ' ' B' ' 57' ' ' LEU . 5.2 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.473 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.612 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 54.9 mt-10 -74.18 -25.43 59.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.852 0.834 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -84.14 -44.36 14.08 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -80.49 -25.52 38.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.24 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 32' ' ' LEU . 3.9 tt -56.02 -46.2 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.445 0.64 . . . . 0.0 109.96 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.1 OUTLIER -105.29 -15.12 15.13 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.919 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 64.87 33.61 9.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 32.1 m-20 62.29 128.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.65 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.23 -27.29 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.369 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 36.6 ptt85 -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.2 m -80.9 -39.82 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 110.96 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.4 tm? -61.91 -50.24 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.635 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.06 ' HG3' HD21 ' B' ' 22' ' ' LEU . 45.7 ttt-85 -49.01 -37.6 20.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.66 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . . . -79.16 -49.61 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.5 pt20 -62.88 -25.04 68.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 0.0 109.884 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.29 -25.2 27.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.441 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 22.8 mmm180 -42.54 -32.96 0.61 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.547 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -80.11 24.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.607 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' ALA . 49.2 m -164.82 -155.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.006 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -102.72 -172.61 2.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.012 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -72.79 -14.88 61.62 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.7 tt0 -40.25 -27.97 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' HD21 ' A' ' 13' ' ' LEU . 5.0 t -53.02 -40.4 63.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.494 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.923 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -66.17 -43.77 85.96 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HA ' HG21 ' B' ' 10' ' ' ILE . 36.2 tt0 -56.12 -24.03 38.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 44.0 mm-40 -83.1 -54.58 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.914 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.1 mmt -89.6 -45.31 9.46 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.443 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 HD23 ' B' ' 32' ' ' LEU . 36.9 tp -58.02 -44.24 87.21 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 37.1 tt0 -59.2 -34.6 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.324 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.705 ' HA ' HG22 ' A' ' 34' ' ' VAL . 56.3 mmtt -86.22 -27.87 24.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.7 . . . . 0.0 109.728 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.9 tp -67.09 -25.81 66.4 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -86.15 -39.0 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.874 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -67.3 -35.24 73.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.4 p -56.27 -38.04 53.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.724 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -86.06 -32.39 6.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.594 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 50.1 t30 -43.27 -40.8 3.64 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.19 -45.02 12.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.114 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.065 ' HD3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.15 -58.7 3.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.446 0.641 . . . . 0.0 111.451 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -42.27 -39.21 2.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.865 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -83.93 -46.47 12.06 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 tp10 -78.5 -40.58 34.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.169 0.509 . . . . 0.0 111.818 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.065 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 10.9 tp10 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.57 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -57.88 -37.38 73.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.61 -39.9 95.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.976 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -62.65 -41.65 99.17 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.15 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.15 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.76 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 16.1 pt-20 -64.61 -26.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.398 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 46' ' ' ALA . 94.6 t -48.06 -44.58 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.422 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.69 141.72 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -167.71 -49.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -176.63 52.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.707 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 t -168.7 134.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.033 0.444 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -172.29 43.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.413 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 59.93 -137.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 -77.06 -35.94 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.681 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -76.55 -27.43 55.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.234 1.016 . . . . 0.0 110.375 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -77.31 -45.16 27.11 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.261 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.639 ' HD2' ' C ' ' B' ' 5' ' ' LYS . 0.7 OUTLIER -78.86 -34.69 44.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.888 HG21 HD13 ' B' ' 32' ' ' LEU . 3.6 tt -53.65 -41.13 45.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-O 122.293 1.044 . . . . 0.0 108.824 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.0 tt -87.94 -28.22 21.63 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.641 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 61.64 16.46 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.586 ' CA ' HD22 ' B' ' 7' ' ' LEU . 36.2 m-20 64.02 130.41 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 113.618 -1.628 . . . . 0.0 112.08 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.947 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.01 -29.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.63 -179.587 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.2 ptm85 -55.52 -46.31 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -85.44 -37.67 19.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.295 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.66 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 6.0 tt -62.68 -55.45 26.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.462 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.809 ' HG3' HD21 ' A' ' 22' ' ' LEU . 38.1 ttt85 -47.16 -30.27 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.403 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.86 -50.5 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.19 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.66 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.0 pt20 -63.08 -33.74 76.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.47 0.652 . . . . 0.0 109.924 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -85.93 -23.6 26.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.358 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -44.21 -31.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.015 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -84.62 29.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.384 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.412 ' N ' ' O ' ' B' ' 17' ' ' ALA . 19.3 t -164.8 -156.2 0.3 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.777 0.322 . . . . 0.0 111.26 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.54 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.9 m -101.31 166.07 10.94 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.06 HD21 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.24 -14.39 7.08 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.45 ' N ' HD23 ' B' ' 22' ' ' LEU . 24.6 pt-20 -40.14 -26.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.7 t -52.57 -42.8 64.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.972 HD21 HD12 ' B' ' 22' ' ' LEU . 1.2 pp -68.66 -42.98 77.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.94 ' N ' HD12 ' B' ' 25' ' ' LEU . 65.6 tt0 -53.97 -26.36 25.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.5 tp10 -83.21 -52.28 6.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.081 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.3 -46.32 8.84 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.708 HD12 HD23 ' A' ' 32' ' ' LEU . 21.6 tp -56.63 -37.42 70.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 84.3 tt0 -68.86 -32.05 71.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.776 ' HA ' HG22 ' B' ' 34' ' ' VAL . 68.0 mmtt -87.55 -32.0 19.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.406 0.622 . . . . 0.0 110.537 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 23.5 tp -68.71 -24.43 64.48 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.43 -38.55 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.01 178.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.2 m -71.95 -38.24 63.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.695 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 7.3 p -56.21 -49.52 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' B' ' 40' ' ' ARG . 12.4 p -79.13 -19.85 12.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.133 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 25.8 t30 -56.24 -42.23 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -74.93 -44.12 50.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.793 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.763 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.79 -27.59 66.02 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.567 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.846 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.2 mmm180 -67.8 -52.94 31.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.247 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.07 -39.97 94.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.086 0.469 . . . . 0.0 110.102 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -78.56 -20.76 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.498 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 5.1 tm-20 -63.83 -49.46 72.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.93 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -69.05 -34.14 74.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.491 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -64.93 -46.81 80.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.202 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.56 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.73 97.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.165 0.507 . . . . 0.0 109.664 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.65 -35.21 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.129 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 46' ' ' ALA . 59.7 t -68.43 107.09 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.754 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 65.97 131.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.162 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 54' ' ' THR . 38.9 tt0 -177.47 148.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -60.93 76.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 111.588 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.501 ' H ' ' HD3' ' B' ' 55' ' ' ARG . 7.3 t -174.77 46.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.545 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.8 OUTLIER -77.74 40.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.532 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 53.44 43.71 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.007 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.135 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' HG2' ' NE ' ' B' ' 40' ' ' ARG . 12.2 pt-20 -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.594 ' C ' HG22 ' A' ' 6' ' ' ILE . . . -72.93 -24.35 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.905 0.859 . . . . 0.0 110.138 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -83.2 -43.11 16.5 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.25 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -84.07 -24.09 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.42 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.89 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.4 -53.0 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.799 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.53 -11.51 37.17 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.631 178.362 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 61.32 35.77 17.92 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.563 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 35.6 m-20 59.89 127.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.644 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.815 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.21 -29.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.417 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.7 ptm180 -60.56 -49.41 77.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -75.35 -38.71 59.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 6.0 tt -62.73 -53.75 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.669 ' HG3' HD21 ' B' ' 22' ' ' LEU . 38.4 ttt85 -46.49 -32.06 3.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.34 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.54 -49.94 8.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.322 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -64.57 -32.15 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 110.019 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.89 -24.25 26.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.233 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -42.66 -31.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -82.9 28.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.423 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' ALA . 22.4 t -167.55 -157.53 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.531 0.205 . . . . 0.0 110.959 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 p -98.38 -177.7 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.361 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.0 -14.56 63.11 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.019 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.5 pt-20 -40.32 -26.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.554 HG21 HD12 ' B' ' 22' ' ' LEU . 4.4 t -52.27 -43.28 64.31 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.8 -45.62 77.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 1.022 ' HG3' HD12 ' B' ' 10' ' ' ILE . 17.9 tt0 -52.0 -26.94 11.83 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 83.6 tt0 -83.31 -53.87 5.42 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.4 mtt -88.57 -44.33 10.73 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HG ' HD22 ' B' ' 7' ' ' LEU . 17.5 tp -54.26 -36.32 63.46 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.11 ' HB2' HD13 ' B' ' 10' ' ' ILE . 85.7 tt0 -68.5 -31.57 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.594 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.1 mmtp -86.2 -36.67 19.33 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.667 0.746 . . . . 0.0 109.965 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.06 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.0 tp -67.91 -22.07 65.1 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.821 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.012 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.0 pt-20 -86.18 -47.04 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.834 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' HA ' ' A' ' 31' ' ' LYS . 34.9 m -61.31 -34.81 62.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.159 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.738 HG22 HG21 ' B' ' 36' ' ' VAL . 13.4 p -56.52 -42.71 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.917 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.3 -36.97 30.85 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.469 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 35.1 t30 -42.68 -38.48 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -74.98 -41.66 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.985 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.945 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.28 -51.97 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.248 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 3.5 mmp_? -47.44 -37.54 11.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -86.72 -45.87 10.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -87.51 -44.63 11.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HG3' ' NH1' ' B' ' 39' ' ' ARG . 5.0 tp10 -61.34 -46.64 89.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.807 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -56.96 -34.58 68.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -64.4 -44.0 92.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.072 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -60.0 -39.59 86.29 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.365 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.45 90.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.86 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.82 -48.29 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.338 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 31.5 m -66.27 -38.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.379 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' HG2' ' H ' ' A' ' 52' ' ' GLU . 74.7 tt0 59.47 -131.87 1.0 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.539 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.575 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 38.9 tt0 -178.76 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.064 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG3' HH11 ' A' ' 53' ' ' ARG . 39.1 ttt85 -50.62 -35.36 30.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.65 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 t -158.32 -35.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.629 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.7 mtm180 68.98 143.91 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.27 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.6 tppt? 74.68 -42.33 0.49 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.676 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.6 tp . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.887 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.821 ' H3 ' HD22 ' B' ' 4' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.616 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 39.3 tt0 -83.03 -28.23 29.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.917 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -75.95 -23.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.777 0.799 . . . . 0.0 110.869 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.821 HD22 ' H3 ' ' B' ' 1' ' ' SER . 1.3 mp -85.73 -44.55 12.44 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.014 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.648 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.1 tmtt? -80.38 -24.46 39.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.451 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.729 HG23 ' H ' ' B' ' 7' ' ' LEU . 4.2 tt -53.2 -56.44 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-O 121.744 0.783 . . . . 0.0 109.397 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.926 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -6.02 50.48 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.52 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 59.11 35.96 23.95 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.529 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 33.1 m-20 61.85 130.34 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.5 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.11 HD13 ' HB2' ' A' ' 30' ' ' GLU . 18.5 pt -55.9 -30.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.697 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -56.8 -51.04 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.94 0.4 . . . . 0.0 111.34 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.6 m -78.52 -37.97 41.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.272 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.673 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.5 tt -62.97 -54.96 30.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.713 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.935 ' HA ' HD11 ' A' ' 22' ' ' LEU . 6.9 ptm180 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.07 -51.78 7.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.229 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.656 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.1 pt20 -63.16 -31.86 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 109.928 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.77 -24.43 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.218 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.6 tpm_? -48.47 -34.13 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.234 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -61.43 -36.38 80.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -104.74 -143.64 0.37 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.762 HG22 ' H ' ' B' ' 22' ' ' LEU . 7.4 m -109.84 178.26 4.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.863 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.48 -14.89 32.65 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.745 0.307 . . . . 0.0 110.219 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.695 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 17.5 tp10 -39.76 -28.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.53 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.467 HG22 HD11 ' B' ' 13' ' ' LEU . 75.1 m -51.45 -43.18 62.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.616 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.906 HD12 ' H ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -65.06 -43.71 91.37 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.078 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.906 ' H ' HD12 ' B' ' 25' ' ' LEU . 78.3 tt0 -56.76 -24.12 47.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.695 ' HG3' ' O ' ' B' ' 23' ' ' GLU . 25.7 mt-10 -83.38 -53.96 5.33 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' B' ' 28' ' ' MET . 13.0 mmt -89.38 -45.19 9.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 32' ' ' LEU . 27.9 tp -58.74 -42.03 87.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.029 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.429 ' O ' HG13 ' B' ' 34' ' ' VAL . 84.8 tt0 -61.82 -31.57 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.07 0.462 . . . . 0.0 111.017 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.5 mmtp -87.49 -28.79 21.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.51 0.672 . . . . 0.0 109.628 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.012 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 39.5 tp -67.07 -24.53 65.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.922 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.06 ' HA ' HD11 ' A' ' 32' ' ' LEU . 4.3 pt-20 -85.12 -40.99 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.792 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' B' ' 31' ' ' LYS . 21.6 m -68.83 -35.25 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.327 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.689 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.5 p -59.7 -50.44 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.911 ' HB ' HG22 ' A' ' 36' ' ' VAL . 14.8 p -78.72 -19.61 13.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.957 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 41.8 t30 -58.38 -51.81 68.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 109.697 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.12 -42.39 94.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.147 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.713 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.83 -29.22 63.06 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.579 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.899 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.2 mmm180 -67.04 -41.01 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.188 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -79.36 -30.69 42.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.814 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 51.3 mt-10 -87.21 -39.43 15.47 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.945 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 23.8 mm-40 -66.29 -47.76 72.57 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.003 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.4 m -53.95 -30.46 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -74.59 -45.39 45.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.456 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.64 92.08 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.52 88.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' B' ' 50' ' ' VAL . 12.0 pt-20 -70.69 -47.21 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' B' ' 49' ' ' GLU . 41.7 t -81.07 62.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 110.627 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.44 -132.77 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.308 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -161.36 -28.65 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.713 0.292 . . . . 0.0 110.812 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' B' ' 53' ' ' ARG . 33.0 tpt85 -48.71 -37.7 19.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.732 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 82.1 p -133.15 -135.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -159.59 126.6 4.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.974 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 tttm 70.86 -59.15 0.55 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 99.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.842 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.556 ' CA ' HD23 ' A' ' 4' ' ' LEU . 53.9 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.669 ' HA ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -72.88 -28.87 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.425 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -76.27 -21.02 56.81 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.822 0.82 . . . . 0.0 109.783 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.4 mm? -85.56 -44.16 12.9 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.458 -1.247 . . . . 0.0 110.09 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.669 ' HG3' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -83.33 -20.0 35.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.578 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.96 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.96 -59.61 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -85.24 -10.16 56.89 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.179 -1.373 . . . . 0.0 107.3 177.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER 62.89 37.44 12.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.505 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 42.9 m-20 60.29 125.47 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.382 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.737 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.88 -34.42 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.09 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.2 ptm180 -57.06 -52.89 63.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 90.8 m -73.66 -38.4 64.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.627 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.4 tt -58.26 -56.45 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.271 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.655 ' HG2' HD21 ' B' ' 22' ' ' LEU . 78.5 mtp180 -44.24 -32.4 1.26 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.865 0.365 . . . . 0.0 110.624 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 -46.55 22.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 12' ' ' THR . 21.6 mt-30 -63.46 -37.46 87.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.826 0.822 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.53 -18.84 30.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.682 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 79.9 ttt180 -42.2 -31.41 0.38 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.14 0.495 . . . . 0.0 110.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.77 42.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.443 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ALA . 44.0 t -172.84 172.7 4.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 22' ' ' LEU . 57.7 m -75.43 161.83 28.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.058 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.07 -13.69 5.26 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.397 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -39.82 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 13' ' ' LEU . 98.1 m -51.37 -44.12 62.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.15 -43.27 87.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.689 178.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 1.021 ' HG2' HD12 ' B' ' 10' ' ' ILE . 3.4 tm-20 -54.12 -27.56 34.0 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 tp10 -83.65 -53.61 5.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.429 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.645 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 23.9 mmt -88.43 -45.94 9.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 61.2 tp -59.32 -25.96 64.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.873 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.013 ' HB2' HD13 ' B' ' 10' ' ' ILE . 39.4 tp10 -76.66 -31.06 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.031 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 34' ' ' VAL . 49.6 mmtt -86.2 -31.75 21.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.686 0.755 . . . . 0.0 109.525 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.042 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.3 tp -69.41 -24.17 63.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.038 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -85.4 -38.2 18.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.0 m -71.35 -36.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.147 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.615 HG22 HG11 ' B' ' 36' ' ' VAL . 7.4 p -56.21 -48.84 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -79.28 -27.92 13.25 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.683 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 33.1 t-20 -43.96 -43.79 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.47 -40.73 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.255 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.81 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -70.03 -56.87 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.19 178.524 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.734 ' HG2' HG22 ' A' ' 36' ' ' VAL . 19.6 mmt180 -44.9 -35.89 3.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.38 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -86.57 -53.51 4.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 34.0 mp0 -86.32 -40.79 15.11 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.121 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 4.4 tp10 -59.74 -47.55 85.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -54.79 -34.29 62.49 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.95 -41.52 82.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.111 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -63.82 -39.82 95.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.638 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . -62.15 -45.25 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.67 66.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.98 -46.91 85.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.679 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.1 p -64.71 -46.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.528 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 24.7 pt-20 -73.43 135.25 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.289 . . . . 0.0 110.95 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.77 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -178.16 53.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.8 p 59.77 132.41 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.626 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -69.78 -140.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.9 134.9 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.321 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 57' ' ' LEU . 3.5 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.059 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.978 ' HA ' HD23 ' B' ' 4' ' ' LEU . 52.3 m . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 40' ' ' ARG . 42.8 tp10 -83.37 -35.88 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.539 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -79.98 -21.71 43.36 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.83 0.824 . . . . 0.0 110.338 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.978 HD23 ' HA ' ' B' ' 1' ' ' SER . 1.7 mm? -85.4 -39.92 17.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.749 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.2 tmtp? -82.58 -28.56 30.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.288 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.694 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.42 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.549 0.69 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.678 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -88.29 -13.09 41.71 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.992 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 m120 61.04 34.36 19.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 35.8 m-20 61.15 126.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.774 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.021 HD12 ' HG2' ' A' ' 26' ' ' GLU . 8.0 pt -59.76 -32.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.201 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.7 ptp85 -57.06 -50.91 71.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.7 m -72.9 -32.64 65.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 110.556 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 25' ' ' LEU . 4.7 tp -63.13 -59.54 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.293 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.626 ' HD2' ' HG3' ' A' ' 26' ' ' GLU . 13.2 mtp-105 -46.51 -25.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.703 0.287 . . . . 0.0 111.011 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.26 -51.57 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.041 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.628 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 9.3 pt20 -64.12 -35.3 80.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 0.0 109.726 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -85.82 -19.57 30.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 80.0 ttt180 -44.38 -29.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -101.85 36.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.458 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' ALA . 68.8 m -165.58 -166.3 0.95 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.958 0.408 . . . . 0.0 111.464 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.485 HG22 ' H ' ' B' ' 23' ' ' GLU . 57.6 m -92.6 159.56 15.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.043 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.97 -13.04 21.65 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.283 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.485 ' H ' HG22 ' B' ' 21' ' ' THR . 42.9 tt0 -39.77 -24.69 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.807 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.598 HG21 ' CD1' ' B' ' 13' ' ' LEU . 99.2 m -51.6 -40.33 59.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.043 HD21 HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -67.33 -42.96 82.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.985 0.422 . . . . 0.0 109.88 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.911 ' H ' HD12 ' B' ' 25' ' ' LEU . 5.7 tm-20 -57.49 -24.17 54.33 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 19.6 tt0 -83.48 -57.73 3.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.159 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.7 mtt -89.75 -44.27 10.11 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.998 HD12 HD23 ' A' ' 32' ' ' LEU . 55.7 tp -61.84 -28.4 69.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.662 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.9 tt0 -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.906 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.66 ' O ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -86.59 -32.37 20.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.929 0.871 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.038 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.6 tp -63.7 -25.21 68.1 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.629 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.042 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.0 pt-20 -85.33 -38.53 18.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.577 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 30' ' ' GLU . 15.3 m -65.69 -33.78 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.82 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 35.5 m -56.59 -45.57 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.675 ' HB ' ' HG2' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -83.51 -20.33 9.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.836 178.492 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.489 ' OD1' HD11 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.5 -35.86 70.78 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -81.43 -40.17 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.716 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.121 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -77.4 -49.75 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.693 -179.573 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.675 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 21.7 mmm180 -44.7 -39.09 4.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.07 -45.28 11.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.32 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.65 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.7 tt0 -88.04 -46.81 9.02 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 7.6 tp10 -60.95 -45.93 92.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.099 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -55.32 -35.54 65.25 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.53 -41.8 92.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.725 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.616 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -59.9 -41.37 91.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.265 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.83 92.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.83 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.42 93.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.799 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.02 -42.07 97.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 46' ' ' ALA . 88.1 t -59.17 -52.68 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.287 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.65 127.67 33.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' B' ' 53' ' ' ARG . 2.5 tm-20 179.77 48.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.969 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' B' ' 52' ' ' GLU . 99.1 mtt180 72.87 -55.5 0.68 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.553 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -165.91 138.28 4.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.399 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 55' ' ' ARG . 43.6 mtp85 -58.31 -51.01 71.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.146 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -176.23 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.815 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 65.7 mm-40 -71.82 -26.82 62.55 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.923 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -68.14 -26.2 65.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.907 0.86 . . . . 0.0 110.38 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -85.13 -46.87 10.7 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.742 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -80.32 -23.37 40.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.89 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 32' ' ' LEU . 7.3 tt -54.88 -52.03 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-O 121.994 0.902 . . . . 0.0 110.148 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.954 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -99.84 -10.37 21.85 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.052 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.473 HD21 ' C ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER 64.87 31.07 11.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.378 -179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 29.5 m-20 61.76 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.504 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.784 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.12 -30.5 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.699 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.492 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -53.45 -44.83 69.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.416 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -88.09 -38.75 15.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.508 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.777 HD13 HD21 ' B' ' 29' ' ' LEU . 6.4 tt -66.19 -56.67 10.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.943 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.825 ' HA ' HD11 ' B' ' 22' ' ' LEU . 52.0 ttt-85 -45.47 -31.01 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.829 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.38 -52.88 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.656 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 9.4 pt20 -61.35 -34.87 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.378 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.6 -20.91 27.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.931 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 52.4 ttt-85 -51.0 -33.4 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.673 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.5 pt-20 -65.16 -33.69 76.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -98.03 -146.28 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.49 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 29.9 m -109.25 165.58 11.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.91 -15.77 14.41 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.528 0.204 . . . . 0.0 110.478 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -41.06 -27.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.56 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -53.11 -43.1 66.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.17 178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.976 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.1 pp -66.45 -45.82 78.5 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.976 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.0 tm-20 -54.81 -26.79 37.26 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.0 tt0 -81.21 -53.61 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.935 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.7 mtt -89.44 -47.08 8.24 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.004 HD12 HD23 ' B' ' 32' ' ' LEU . 19.2 tp -54.46 -41.35 69.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.844 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 33.8 tt0 -61.49 -30.46 70.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.7 mmtp -86.52 -30.78 21.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.871 0.843 . . . . 0.0 109.465 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.3 tp -68.28 -24.81 64.91 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.308 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.047 ' HA ' HD11 ' B' ' 32' ' ' LEU . 19.5 pt-20 -86.3 -43.47 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.804 HG22 ' HA ' ' A' ' 31' ' ' LYS . 30.5 m -63.98 -34.03 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.487 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.83 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 6.7 m -55.94 -51.79 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -74.98 -20.52 16.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.469 178.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 29.2 t-20 -54.26 -38.45 65.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.641 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 57.1 mm-40 -82.71 -42.81 17.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.329 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.035 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.65 -54.23 14.89 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.754 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 2.9 mmp_? -46.15 -41.27 12.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -83.84 -36.46 23.44 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 38.3 tt0 -80.64 -43.7 20.04 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 111.626 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.096 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.1 mm-40 -57.39 -47.5 81.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -56.17 -34.45 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.02 -41.47 77.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.4 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -61.96 -39.51 92.38 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.898 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.57 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.322 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.815 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 24.8 pt-20 -63.47 -40.7 97.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.689 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 46' ' ' ALA . 30.7 m -76.87 40.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -175.23 131.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 23.8 pt-20 178.14 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.834 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 54' ' ' THR . 76.5 ttt180 -176.96 50.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.459 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 53' ' ' ARG . 13.9 t 51.27 129.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -65.01 -49.4 70.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.294 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -174.54 -45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.99 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.6 tt0 -78.14 -23.2 47.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.647 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -86.56 -21.98 26.57 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.984 0.897 . . . . 0.0 109.939 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.1 mt -84.37 -42.42 15.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.079 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.673 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.0 tmtt? -84.75 -23.88 29.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.248 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.955 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.15 -53.3 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.805 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.59 -8.92 39.81 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.772 178.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.2 m120 64.17 25.16 13.6 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.622 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 71.3 m-80 61.39 125.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.646 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -46.67 -31.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.156 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.487 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.5 ptm85 -56.75 -50.18 73.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.948 0.404 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 92.6 m -79.67 -37.04 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.409 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.644 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.4 tt -61.45 -55.31 32.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.576 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 78.0 mtp180 -45.46 -34.09 3.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.69 -50.65 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.951 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.566 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 0.1 OUTLIER -66.35 -29.89 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.418 0.627 . . . . 0.0 110.309 -179.588 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.09 -24.08 24.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.281 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' NE ' ' B' ' 18' ' ' ARG . 1.8 tpm_? -42.19 -32.66 0.51 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.408 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.78 33.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.608 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 17' ' ' ALA . 50.2 m -163.37 -160.78 0.62 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.891 0.377 . . . . 0.0 111.578 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.558 HG22 ' N ' ' B' ' 22' ' ' LEU . 28.5 m -100.57 167.83 10.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.925 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -58.67 -15.15 10.51 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.623 0.249 . . . . 0.0 110.397 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 27' ' ' GLU . 24.6 pt-20 -40.58 -27.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.346 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.511 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -51.64 -42.6 62.18 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.929 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.971 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.1 pp -67.22 -45.96 75.24 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.971 ' H ' HD12 ' B' ' 25' ' ' LEU . 3.9 tm-20 -53.35 -25.49 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 4.9 mm-40 -81.87 -55.16 4.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.908 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 59.7 mtt -88.97 -46.16 9.1 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.089 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.954 ' HG ' HD22 ' A' ' 7' ' ' LEU . 53.8 tp -54.74 -32.98 60.55 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.663 ' O ' HG13 ' B' ' 34' ' ' VAL . 85.5 tt0 -71.46 -32.5 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 111.213 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.673 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.4 mmtp -87.13 -33.67 19.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.901 0.858 . . . . 0.0 110.006 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.047 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -67.17 -23.38 65.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.85 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.008 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.4 pt-20 -86.03 -44.43 12.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.576 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.4 m -60.41 -35.93 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.835 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 15.2 m -55.29 -51.05 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -76.07 -20.61 15.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.579 178.202 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.463 ' OD1' HD11 ' A' ' 4' ' ' LEU . 29.9 t30 -56.39 -36.96 69.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.629 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 55.9 mt-10 -83.55 -44.21 14.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.096 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.48 -50.96 40.41 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.745 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 2.9 mmp_? -47.08 -42.23 18.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.608 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 12.5 pt-20 -82.9 -37.36 24.35 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.1 mm-40 -77.27 -38.79 50.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.966 0.413 . . . . 0.0 111.53 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.035 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 12.6 mm-40 -59.11 -47.39 85.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -56.39 -33.93 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.95 -41.62 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.492 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.54 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -61.97 -40.44 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.834 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.393 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.16 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.875 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.54 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 15.8 pt-20 -64.61 -40.73 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.647 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 46' ' ' ALA . 34.7 m -77.02 43.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.691 0.281 . . . . 0.0 111.71 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -171.34 135.52 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.038 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -177.38 -50.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.552 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -177.62 41.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.703 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m 64.82 132.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.351 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -69.48 -140.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.3 -47.01 71.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 57' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.52 ' N ' HD22 ' A' ' 4' ' ' LEU . 46.9 t . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.57 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.9 tp10 -76.07 -35.76 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.766 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -77.87 -20.83 52.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.879 0.847 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -84.0 -43.37 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.779 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -84.79 -22.54 29.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.5 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 32' ' ' LEU . 4.3 tt -54.43 -46.26 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.36 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.15 -10.77 16.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.3 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 63.05 33.46 14.66 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.898 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 23.6 m-20 60.43 127.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.41 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.89 -30.24 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.115 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 14.5 ptp180 -53.06 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.2 m -84.55 -36.0 22.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.528 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.675 ' C ' HD23 ' A' ' 13' ' ' LEU . 6.0 tt -64.81 -55.93 16.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.994 ' HA ' HD11 ' B' ' 22' ' ' LEU . 11.7 ptm180 -44.41 -34.43 2.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.528 0.204 . . . . 0.0 111.345 -178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.73 9.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.236 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.606 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.1 pt20 -60.72 -35.42 76.29 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.697 0.76 . . . . 0.0 109.505 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.43 -21.64 26.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.729 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 3.5 tmt_? -51.22 -32.02 22.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -62.6 -36.08 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.7 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -104.12 -144.54 0.37 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.506 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 22' ' ' LEU . 27.6 m -105.77 166.96 10.1 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.031 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -59.2 -14.6 11.24 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 89.1 tt0 -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.769 0.319 . . . . 0.0 110.461 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 5.4 t -51.81 -42.78 62.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.059 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.34 -43.06 82.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 36.0 tt0 -54.38 -25.31 23.69 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 4.5 mm-40 -83.29 -52.87 6.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.808 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.42 -46.65 8.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.217 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.84 HD12 HD23 ' B' ' 32' ' ' LEU . 31.5 tp -56.67 -34.54 67.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 34' ' ' VAL . 40.0 tt0 -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.0 111.566 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.69 ' HA ' HG22 ' A' ' 34' ' ' VAL . 28.7 mmtp -87.08 -28.63 22.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.641 0.734 . . . . 0.0 110.046 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.113 HD11 ' HA ' ' B' ' 33' ' ' GLU . 35.4 tp -69.85 -25.55 63.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.691 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.76 -32.44 23.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.515 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' A' ' 31' ' ' LYS . 18.2 m -74.51 -38.43 46.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.4 m -54.38 -47.09 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.879 HG22 ' HG2' ' A' ' 40' ' ' ARG . 11.8 p -85.4 -19.35 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.729 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 22.8 t30 -55.33 -38.6 68.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.15 -40.65 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.709 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.956 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.2 -53.18 18.18 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.753 179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.879 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.0 mmt180 -45.04 -41.61 7.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.704 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -87.1 -44.56 11.44 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.4 tt0 -82.06 -40.86 21.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 10.2 tm-20 -56.89 -47.69 79.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -35.68 61.92 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.44 -41.73 88.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.025 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -64.08 -40.15 95.62 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.621 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -47.23 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.71 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.93 75.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.521 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.18 -49.89 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.015 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 23.8 m -72.11 -43.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.292 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.73 134.66 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 54' ' ' THR . 24.4 pt-20 -177.2 -141.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.264 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 53' ' ' ARG . 51.1 ttt-85 -64.95 -41.0 95.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.79 0.329 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.407 ' H ' ' HG3' ' A' ' 52' ' ' GLU . 57.4 p -152.93 137.8 17.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 141.04 45.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.777 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.586 ' NZ ' ' HB2' ' A' ' 56' ' ' LYS . 10.1 mtmp? -77.5 44.9 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.002 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.678 ' HA ' HD22 ' B' ' 4' ' ' LEU . 47.7 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 39.0 tt0 -71.78 -24.17 61.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.42 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.678 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -73.89 -24.21 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.219 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' B' ' 1' ' ' SER . 0.5 OUTLIER -83.44 -44.15 15.07 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.955 -179.317 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -82.24 -24.31 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.885 HG21 HD13 ' B' ' 32' ' ' LEU . 3.9 tt -54.36 -45.58 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-O 121.679 0.752 . . . . 0.0 109.407 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.1 -13.75 15.63 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.228 179.473 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 65.93 32.58 8.44 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.836 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.506 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 25.5 m-20 60.02 128.45 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.196 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.707 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -52.63 -29.12 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.757 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.485 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.0 ptp180 -55.58 -49.48 72.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 89.9 m -86.47 -38.22 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.639 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.5 tm? -61.24 -52.05 66.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.967 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.866 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.0 ttt-85 -48.63 -36.4 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.517 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' B' ' 18' ' ' ARG . . . -83.37 -48.64 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 14.6 pt20 -60.21 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.426 0.632 . . . . 0.0 109.924 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.24 -24.35 27.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.524 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.755 ' HG2' ' O ' ' B' ' 14' ' ' ARG . 2.4 mmm180 -42.91 -32.29 0.61 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.15 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -81.41 28.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.0 p -167.29 -156.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.484 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.536 HG22 ' N ' ' B' ' 22' ' ' LEU . 35.1 m -102.65 165.39 11.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.509 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.994 HD11 ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.66 -14.75 9.18 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.479 ' N ' HD23 ' B' ' 22' ' ' LEU . 89.0 tt0 -40.69 -26.29 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 110.494 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.54 ' OG1' HD21 ' B' ' 13' ' ' LEU . 5.7 t -52.75 -40.62 63.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.949 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -67.95 -42.3 81.14 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.156 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.93 ' H ' HD12 ' B' ' 25' ' ' LEU . 71.0 tt0 -57.42 -23.97 52.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 80.4 tt0 -84.23 -55.83 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.911 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 60.9 mtt -90.03 -45.34 9.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 32' ' ' LEU . 50.8 tp -63.35 -23.28 67.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.6 ' O ' HG13 ' B' ' 34' ' ' VAL . 30.6 tt0 -77.93 -33.91 51.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.036 0.446 . . . . 0.0 111.18 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.4 mmtp -86.37 -30.13 22.4 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.936 0.874 . . . . 0.0 109.237 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 37.2 tp -66.17 -24.95 66.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.76 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.113 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.6 pt-20 -85.58 -38.14 18.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.555 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.9 m -67.77 -34.89 70.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.155 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.668 HG22 ' O ' ' B' ' 32' ' ' LEU . 31.2 m -55.63 -42.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -85.16 -26.57 6.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.229 178.006 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 38.3 t30 -47.81 -39.09 17.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 20.2 pt-20 -87.99 -45.14 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.474 177.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.967 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.32 -57.25 4.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 111.261 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.668 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.5 tpp180 -48.29 -32.77 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -85.78 -45.36 11.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 96.1 mt-10 -80.22 -38.84 30.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.096 0.474 . . . . 0.0 112.022 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.956 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 24.5 mm-40 -59.74 -46.3 89.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -54.66 -33.31 60.55 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -70.98 -44.41 66.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.514 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -61.92 -38.12 87.24 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.34 86.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.126 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.86 -42.65 98.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.022 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 46' ' ' ALA . 79.1 t -64.75 -51.69 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.255 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -66.55 137.21 56.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -173.51 -42.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.497 ' HG2' HG23 ' B' ' 54' ' ' THR . 38.9 ttt85 -170.02 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.576 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.811 ' HB ' HH21 ' B' ' 55' ' ' ARG . 70.2 p -148.62 130.51 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.727 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.811 HH21 ' HB ' ' B' ' 54' ' ' THR . 0.0 OUTLIER -65.21 134.18 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.374 0.607 . . . . 0.0 111.84 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.81 143.8 52.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.786 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 57' ' ' LEU . 7.1 mp . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.778 ' N ' HD23 ' A' ' 4' ' ' LEU . 89.1 p . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.576 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.8 tt0 -82.59 -26.84 31.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.735 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -81.03 -27.8 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.567 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 1' ' ' SER . 2.2 mm? -82.73 -34.28 27.26 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.703 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.6 tmtt? -85.91 -27.68 24.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.972 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 3.7 tt -52.97 -46.34 53.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.462 0.648 . . . . 0.0 109.504 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.982 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -105.26 -6.92 19.29 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.241 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 12' ' ' THR . 11.7 t-20 60.57 31.48 20.24 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.466 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.631 ' HB3' HH11 ' A' ' 11' ' ' ARG . 31.9 m-20 63.52 130.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.57 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.855 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -23.36 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.206 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.631 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.4 ptp85 -56.82 -53.68 55.03 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 13.1 t -74.41 -30.25 61.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.462 . . . . 0.0 110.451 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 HD22 ' B' ' 25' ' ' LEU . 6.7 tp -61.87 -53.66 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.89 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.567 HH12 ' HD3' ' A' ' 18' ' ' ARG . 29.6 tpt85 -47.79 -28.48 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.69 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.22 -51.4 5.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.536 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 3.4 pt20 -63.46 -33.75 76.24 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.438 0.637 . . . . 0.0 110.219 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -86.2 -20.48 28.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.412 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD3' HH12 ' A' ' 14' ' ' ARG . 11.7 tpt180 -44.26 -29.31 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.06 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -105.18 40.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.321 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -160.95 -146.23 0.13 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.666 0.27 . . . . 0.0 111.358 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 22' ' ' LEU . 39.5 m -126.41 162.66 25.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.955 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -56.2 -15.01 3.18 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 120.624 0.249 . . . . 0.0 110.888 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -40.22 -27.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 13' ' ' LEU . 5.5 t -56.55 -42.46 78.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.522 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.955 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.04 -42.36 84.97 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 120.929 0.395 . . . . 0.0 110.045 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.917 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.31 -26.35 51.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.5 tt0 -83.95 -51.84 6.82 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.996 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.5 mmt -89.52 -48.55 7.24 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.831 HD12 HD23 ' B' ' 32' ' ' LEU . 62.0 tp -60.72 -25.68 66.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.444 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 3.3 tp10 -77.29 -32.76 55.67 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.974 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.2 mmtp -87.02 -31.45 20.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.703 0.763 . . . . 0.0 109.752 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.055 HD11 ' HA ' ' B' ' 33' ' ' GLU . 42.8 tp -67.07 -24.57 65.98 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.551 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.056 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -86.88 -42.25 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.953 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.0 m -65.27 -34.38 70.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.717 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 8.1 p -56.56 -50.41 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -73.67 -30.36 28.99 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.331 177.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' OD1' HD21 ' B' ' 4' ' ' LEU . 29.5 t30 -48.12 -41.19 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.62 -34.94 77.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.133 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.105 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -76.11 -46.72 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.492 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.707 ' HD3' ' HB3' ' B' ' 2' ' ' GLU . 8.5 mmp_? -51.2 -37.1 44.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.58 -46.17 9.79 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.297 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -88.18 -45.13 10.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.963 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.1 tm-20 -53.81 -48.16 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -59.74 -36.74 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -61.01 -42.09 97.8 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.175 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.69 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -60.75 -45.62 93.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.246 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' ' HB ' ' A' ' 50' ' ' VAL . . . -60.56 -38.52 84.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.88 88.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.326 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 13.8 mm-40 -66.12 -38.04 87.2 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.343 0.592 . . . . 0.0 109.84 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 46' ' ' ALA . 85.5 t -48.82 -38.99 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HG3' HG12 ' A' ' 50' ' ' VAL . 95.4 mt-10 -146.42 137.94 24.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -146.78 44.61 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.256 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 55.3 39.3 31.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.0 p -152.65 133.23 13.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -69.02 132.35 46.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -175.99 46.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 0.0 110.443 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.769 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.756 ' N ' HD23 ' B' ' 4' ' ' LEU . 88.6 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.61 0.243 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.707 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 89.1 tt0 -79.77 -27.94 40.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.567 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.02 -28.27 39.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.743 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.756 HD23 ' N ' ' B' ' 1' ' ' SER . 2.2 mm? -84.14 -35.77 23.38 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.9 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -81.02 -30.75 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.413 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.893 HG21 HD13 ' B' ' 32' ' ' LEU . 3.1 tt -54.65 -41.29 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 121.8 0.81 . . . . 0.0 109.646 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -104.21 -19.27 14.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.092 -1.413 . . . . 0.0 110.061 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.492 ' O ' ' ND2' ' B' ' 8' ' ' ASN . 0.3 OUTLIER 64.92 30.09 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.603 ' N ' ' HG ' ' B' ' 7' ' ' LEU . 22.6 m-20 62.44 127.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.511 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.764 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -56.8 -27.79 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.453 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.528 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.4 ptm180 -55.48 -52.1 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 97.3 m -73.57 -33.63 64.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 25' ' ' LEU . 5.4 tp -62.15 -59.23 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.386 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.867 ' HG3' HD21 ' A' ' 22' ' ' LEU . 35.0 ttt-85 -46.02 -25.73 0.61 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.29 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.05 -50.48 6.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.944 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.8 pt20 -64.34 -34.93 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.063 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.603 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -86.44 -19.84 29.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.378 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -42.49 -30.15 0.33 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -105.6 42.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.307 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.42 ' N ' ' O ' ' B' ' 17' ' ' ALA . 79.8 p -169.27 -171.17 1.22 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 111.525 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.589 HG22 ' H ' ' B' ' 23' ' ' GLU . 55.9 m -86.77 155.89 20.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.048 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -63.16 -13.24 34.71 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.539 179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.589 ' H ' HG22 ' B' ' 21' ' ' THR . 12.5 pt-20 -39.26 -24.89 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.938 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.61 HG21 HD13 ' B' ' 13' ' ' LEU . 93.8 m -50.55 -41.24 53.83 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.048 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.046 0.451 . . . . 0.0 109.946 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.933 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.3 tt0 -55.61 -24.9 35.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 34.6 tt0 -83.71 -53.78 5.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.931 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.8 mtt -89.75 -46.03 8.88 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.982 ' HG ' HD22 ' A' ' 7' ' ' LEU . 59.9 tp -58.21 -36.77 73.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.0 tt0 -67.55 -34.56 77.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.562 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' B' ' 34' ' ' VAL . 59.0 mmtt -86.82 -29.5 22.21 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 121.811 0.815 . . . . 0.0 109.628 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.056 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.5 tp -68.64 -24.35 64.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.505 -1.225 . . . . 0.0 109.894 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.055 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -85.93 -43.71 12.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.0 m -64.69 -34.27 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.84 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 32' ' ' LEU . 14.9 p -56.46 -49.84 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -74.29 -35.56 40.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.054 177.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.553 ' OD1' HD21 ' A' ' 4' ' ' LEU . 28.0 t30 -42.88 -41.07 3.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -69.22 -40.18 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.963 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -74.53 -47.7 31.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.598 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmm180 -47.68 -39.52 17.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -87.46 -44.33 11.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.618 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 66.9 mm-40 -87.14 -45.19 10.91 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.105 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -53.21 -50.14 65.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -58.54 -37.27 75.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -61.31 -41.37 96.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.379 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.875 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -65.18 -47.99 75.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.617 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.14 79.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.31 90.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' B' ' 46' ' ' ALA . 16.8 pt-20 -72.75 -26.56 61.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.875 HG23 ' O ' ' B' ' 46' ' ' ALA . 70.1 t -52.67 -38.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.486 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.52 143.67 8.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.432 . . . . 0.0 111.339 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.437 ' OE2' ' HA ' ' B' ' 49' ' ' GLU . 38.5 mp0 -138.51 -150.33 0.33 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.04 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -86.12 42.95 1.02 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 110.683 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 64.1 p -150.83 141.65 22.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.506 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.2 OUTLIER -66.32 -132.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.998 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' B' ' 56' ' ' LYS . 87.4 tttt 62.25 52.23 3.22 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.159 0.504 . . . . 0.0 110.632 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.1 tp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.788 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.686 ' HA ' HD22 ' A' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 37.8 tt0 -73.97 -28.89 61.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.48 -20.92 58.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.991 0.901 . . . . 0.0 110.068 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -84.64 -46.2 11.74 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.794 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.3 -24.14 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.794 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -54.3 -45.94 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 121.628 0.727 . . . . 0.0 109.275 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.04 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -105.11 -9.76 17.58 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.471 -1.24 . . . . 0.0 108.988 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.9 35.4 16.38 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 23.0 m-20 59.46 127.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.066 HD13 ' HB2' ' B' ' 30' ' ' GLU . 24.5 pt -53.14 -23.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.884 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -63.8 -51.32 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 95.8 m -73.84 -38.52 64.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.64 ' C ' HD23 ' A' ' 13' ' ' LEU . 6.0 tt -63.37 -50.27 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' B' ' 22' ' ' LEU . 12.6 tpt180 -44.27 -35.06 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 -47.61 10.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.352 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.605 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.3 pt20 -63.85 -34.72 78.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 109.801 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.38 -21.35 27.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -45.33 -30.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.962 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -90.3 32.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.478 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ALA . 83.8 p -165.59 -159.56 0.42 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 111.306 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -101.39 -174.25 2.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.585 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.989 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -70.76 -14.57 62.48 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.912 179.575 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' HH12 ' B' ' 14' ' ' ARG . 2.1 pp20? -40.43 -27.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.512 HG23 ' CD2' ' B' ' 25' ' ' LEU . 4.9 t -55.59 -42.07 74.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.27 -42.28 84.12 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.925 ' N ' HD12 ' A' ' 25' ' ' LEU . 27.3 tt0 -54.55 -26.62 33.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.2 tt0 -83.54 -49.99 8.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.047 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.26 -47.85 7.77 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.948 ' HG ' HD22 ' B' ' 7' ' ' LEU . 34.5 tp -56.42 -38.95 72.25 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.78 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 34' ' ' VAL . 33.9 tt0 -65.6 -34.97 79.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.777 ' HA ' HG22 ' A' ' 34' ' ' VAL . 29.4 mmtp -86.64 -26.81 24.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.594 0.711 . . . . 0.0 110.26 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' B' ' 33' ' ' GLU . 14.3 tp -70.43 -26.22 63.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.483 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.043 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.5 pt-20 -84.58 -34.39 23.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.62 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.5 m -72.99 -38.95 57.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.293 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.751 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 16.4 m -54.15 -46.36 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.874 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.6 p -86.45 -18.77 8.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.767 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' B' ' 4' ' ' LEU . 29.5 t-20 -55.54 -42.88 75.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' HE ' ' A' ' 39' ' ' ARG . 10.3 pt-20 -73.91 -39.15 64.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.168 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.842 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.66 -54.76 12.36 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 121.704 0.764 . . . . 0.0 109.776 178.406 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.874 ' HG2' HG22 ' A' ' 36' ' ' VAL . 7.2 mmm180 -43.49 -40.47 3.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.801 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -83.98 -47.22 11.22 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 50.5 mt-10 -82.82 -42.02 18.37 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 112.092 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.901 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 23.7 tp10 -56.04 -48.47 75.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.0 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -55.5 -35.49 65.64 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.86 -40.99 83.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . . . -61.76 -41.38 97.6 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.85 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.485 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.79 -45.22 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.909 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HG3' HG23 ' A' ' 50' ' ' VAL . 16.1 pt-20 -63.79 -37.48 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.584 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.532 HG23 ' HG3' ' A' ' 49' ' ' GLU . 46.4 t -142.13 75.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 93.8 mt-10 -60.18 -53.4 58.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 tm-20 178.22 -53.19 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.472 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.4 ttt85 -78.41 -44.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.415 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.486 HG23 ' HA ' ' A' ' 50' ' ' VAL . 8.7 t -58.5 141.23 52.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.727 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -151.68 -136.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.54 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.617 ' HD3' ' HD2' ' B' ' 56' ' ' LYS . 49.5 mtmt -62.97 -49.96 72.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.709 0.29 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 57' ' ' LEU . 2.5 tm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.753 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.508 ' N ' HD23 ' B' ' 4' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.9 0.381 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 -75.37 -29.44 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.122 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -78.08 -26.88 48.36 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.749 0.785 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.634 HD11 ' ND2' ' A' ' 37' ' ' ASN . 1.8 mm? -84.2 -38.13 20.98 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.661 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.542 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.3 tptp -83.77 -28.22 28.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.517 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 32' ' ' LEU . 5.4 tt -55.56 -46.31 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.602 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.948 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.85 -13.18 15.6 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.202 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.542 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 73.1 m-80 66.73 32.5 6.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.06 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 33.2 m-20 59.61 126.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.452 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.714 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -51.68 -26.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.888 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.4 ptm85 -58.65 -52.68 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 99.3 m -86.32 -33.91 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.214 0.53 . . . . 0.0 110.73 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.801 HD21 HG21 ' B' ' 24' ' ' THR . 2.1 tm? -61.07 -51.53 68.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.646 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.893 ' HG3' HD21 ' A' ' 22' ' ' LEU . 33.8 ttt85 -52.12 -34.46 44.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.22 -49.59 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.405 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.628 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 11.9 pt20 -62.93 -32.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 109.792 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -86.22 -24.1 26.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.044 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.632 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 12.1 tpt180 -49.48 -34.36 16.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.722 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 16' ' ' GLN . 12.5 pt-20 -61.4 -34.87 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.2 m -103.76 -142.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.422 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.645 HG22 ' H ' ' B' ' 22' ' ' LEU . 16.2 m -113.91 174.23 6.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.142 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.977 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.68 -15.05 10.08 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 24.5 pt-20 -41.44 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 110.182 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.801 HG21 HD21 ' B' ' 13' ' ' LEU . 99.8 m -55.32 -41.28 72.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.074 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.98 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -68.06 -47.18 69.04 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.378 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.98 ' H ' HD12 ' B' ' 25' ' ' LEU . 24.0 pt-20 -56.05 -23.53 33.97 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.342 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 44.6 tt0 -83.42 -51.67 7.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.755 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.6 mmt -89.21 -49.02 6.99 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.018 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 1.04 ' HG ' HD22 ' A' ' 7' ' ' LEU . 19.4 tp -51.95 -41.54 62.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.388 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 1.066 ' HB2' HD13 ' A' ' 10' ' ' ILE . 42.9 tt0 -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.679 ' HA ' HG22 ' B' ' 34' ' ' VAL . 8.5 mmpt? -83.69 -31.64 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.894 0.854 . . . . 0.0 109.481 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.043 HD11 ' HA ' ' A' ' 33' ' ' GLU . 24.9 tp -71.17 -24.89 62.33 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.103 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.911 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.1 pt-20 -85.83 -43.35 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' B' ' 31' ' ' LYS . 35.1 m -63.13 -35.82 73.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.074 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.744 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.5 p -55.54 -42.72 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -86.36 -20.15 7.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 177.513 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.62 ' ND2' HD11 ' A' ' 4' ' ' LEU . 29.8 t-20 -53.47 -38.66 63.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.902 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -84.44 -39.92 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.8 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.902 ' HD2' ' HG3' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -72.65 -53.64 11.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.758 179.158 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.8 mmm180 -46.37 -39.1 9.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.756 0.312 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -83.97 -46.21 12.31 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.6 mp0 -85.88 -42.95 13.66 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.842 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.21 -48.32 79.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.056 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.95 -34.67 68.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.94 -41.66 97.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.046 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.63 95.53 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.319 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.8 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.405 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.06 77.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.981 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.503 ' HG2' HG13 ' B' ' 50' ' ' VAL . 36.6 tt0 -56.04 -47.37 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.492 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' B' ' 49' ' ' GLU . 27.7 m -153.0 120.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -87.25 -48.34 8.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.578 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' B' ' 53' ' ' ARG . 11.7 pt-20 -175.66 -48.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' B' ' 52' ' ' GLU . 40.2 ttm180 -77.87 -43.48 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.419 HG22 HG12 ' B' ' 50' ' ' VAL . 89.2 m -57.34 137.75 55.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' HG2' ' B' ' 56' ' ' LYS . 15.5 ptm180 -172.08 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.617 ' HD2' ' HD3' ' A' ' 56' ' ' LYS . 14.6 ptmm? -172.66 137.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.853 -179.728 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.931 ' HA ' HD23 ' A' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.6 tp10 -83.33 -34.51 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.354 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.737 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.87 -23.91 41.6 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.897 0.856 . . . . 0.0 110.449 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -85.1 -39.11 18.31 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.657 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.647 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -85.15 -27.5 26.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.761 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.58 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.434 0.635 . . . . 0.0 109.41 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.917 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -95.19 -8.28 36.69 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.944 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.12 34.19 16.49 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.776 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 37.5 m-20 60.64 126.52 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.855 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.84 -32.38 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.615 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -59.58 -50.54 73.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.195 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 91.6 m -74.27 -37.37 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.392 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.65 ' C ' HD23 ' A' ' 13' ' ' LEU . 5.9 tt -60.64 -57.44 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.7 mtp180 -47.04 -31.62 3.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -76.32 -47.65 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.823 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.3 pt20 -70.97 -31.78 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.487 0.661 . . . . 0.0 110.178 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.98 -20.8 26.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.194 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.1 ptt85 -43.52 -34.34 1.34 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 87.5 tt0 -88.45 36.34 0.79 Allowed 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.763 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ALA . 35.5 t -170.15 -177.47 2.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 22' ' ' LEU . 24.2 m -86.6 169.69 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.731 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.884 ' HG ' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.98 -14.6 9.77 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 120.691 0.281 . . . . 0.0 110.27 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.14 0.04 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.8 -42.81 65.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.281 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.006 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -65.66 -47.5 75.3 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.416 178.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 1.006 ' H ' HD12 ' A' ' 25' ' ' LEU . 23.3 tt0 -54.25 -25.66 24.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.985 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 tt0 -80.3 -53.53 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.791 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.56 ' HE2' ' HG2' ' A' ' 27' ' ' GLU . 11.2 mmt -89.77 -46.94 8.24 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.022 0.439 . . . . 0.0 112.087 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' B' ' 7' ' ' LEU . 56.5 tp -54.24 -43.48 70.92 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.961 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.5 tt0 -60.87 -30.22 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.041 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.686 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.0 mmtp -86.64 -29.02 22.85 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.779 0.8 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.977 HD11 ' HA ' ' B' ' 33' ' ' GLU . 16.2 tp -68.88 -26.14 64.97 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.785 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.933 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.74 -36.73 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.633 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 31' ' ' LYS . 19.9 m -68.45 -37.74 78.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.209 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG21 HG11 ' B' ' 36' ' ' VAL . 15.0 m -55.24 -52.96 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 7.4 p -77.7 -18.83 13.98 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.638 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.457 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 42.6 t30 -58.17 -43.65 87.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.384 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -74.73 -47.3 32.09 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 121.33 0.586 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.91 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.5 mmm180 -45.05 -41.29 7.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.885 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -86.63 -44.04 12.18 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -86.11 -44.14 12.49 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 11.1 tm-20 -57.84 -48.37 79.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.162 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.29 -33.0 65.11 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.98 -43.97 81.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.398 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . -65.31 -41.63 93.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.97 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.36 -41.44 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.301 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.28 78.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.316 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 11.3 pt-20 -68.91 -52.46 29.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 50' ' ' VAL . 11.4 p 35.41 41.01 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.747 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.6 146.51 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -160.6 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 53' ' ' ARG . 52.6 ttt-85 -173.35 -49.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.556 HG22 ' H ' ' A' ' 55' ' ' ARG . 4.5 m -72.06 -132.02 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.577 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 52.55 44.29 30.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 179.821 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -173.34 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.9 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.959 ' HA ' HD23 ' B' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 -83.29 -34.55 25.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.32 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.734 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.71 -24.05 41.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.837 0.827 . . . . 0.0 110.46 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' B' ' 1' ' ' SER . 1.3 mm? -85.17 -39.09 18.25 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.63 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.8 tmtt? -85.13 -27.62 26.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.084 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.757 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.62 -52.56 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 CA-C-O 121.465 0.65 . . . . 0.0 109.487 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -95.36 -8.02 36.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.885 178.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' B' ' 12' ' ' THR . 5.6 m120 62.01 34.23 16.76 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.802 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.54 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 38.0 m-20 60.45 126.62 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.846 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -51.86 -32.37 14.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.56 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -59.57 -50.61 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' B' ' 8' ' ' ASN . 91.0 m -74.18 -37.45 63.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.642 HD23 ' C ' ' B' ' 13' ' ' LEU . 5.9 tt -60.61 -57.4 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.295 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.771 ' HG2' HD21 ' A' ' 22' ' ' LEU . 79.5 mtp180 -47.05 -31.65 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -76.36 -47.47 23.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.907 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.3 pt20 -71.17 -31.62 67.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.421 0.629 . . . . 0.0 110.104 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.02 -20.94 26.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.163 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 15' ' ' ALA . 30.0 ptt85 -43.32 -34.49 1.24 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.262 0.553 . . . . 0.0 109.536 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 19' ' ' GLU . 87.4 tt0 -88.37 36.32 0.78 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.693 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 17' ' ' ALA . 35.4 t -170.14 -177.44 2.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.957 0.408 . . . . 0.0 111.393 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.577 HG22 ' N ' ' B' ' 22' ' ' LEU . 23.9 m -86.54 169.72 12.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.907 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.04 -14.5 9.84 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.711 0.291 . . . . 0.0 110.352 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.513 ' N ' HD23 ' B' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.534 HG21 HD21 ' B' ' 13' ' ' LEU . 5.2 t -52.74 -42.81 65.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.244 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.96 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -65.71 -47.5 75.15 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.343 178.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.96 ' H ' HD12 ' B' ' 25' ' ' LEU . 23.3 tt0 -54.23 -25.65 24.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.572 -0.851 . . . . 0.0 108.881 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.66 ' HG2' ' HE2' ' B' ' 28' ' ' MET . 39.5 tt0 -80.26 -53.69 6.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.757 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.66 ' HE2' ' HG2' ' B' ' 27' ' ' GLU . 11.4 mmt -89.64 -47.06 8.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.975 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.917 ' HG ' HD22 ' A' ' 7' ' ' LEU . 56.2 tp -54.14 -43.44 70.53 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.645 ' O ' HG13 ' B' ' 34' ' ' VAL . 38.4 tt0 -61.03 -30.12 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.685 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.9 mmtp -86.58 -29.03 22.92 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.787 0.803 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.933 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -68.93 -26.18 64.94 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.701 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.977 ' HA ' HD11 ' A' ' 32' ' ' LEU . 1.7 pp20? -84.7 -36.71 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.656 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' B' ' 31' ' ' LYS . 20.1 m -68.52 -37.72 78.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 36' ' ' VAL . 15.1 m -55.32 -52.78 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.4 p -77.8 -18.93 13.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.082 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.534 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 42.8 t30 -58.03 -43.69 86.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.594 0.711 . . . . 0.0 109.263 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -69.68 -41.62 75.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.483 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.834 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.7 -47.42 31.6 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.967 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.911 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.6 mmm180 -44.94 -41.44 7.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -86.6 -44.01 12.22 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.3 mt-10 -86.06 -44.14 12.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 11.1 tm-20 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.118 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.2 -33.12 65.01 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.84 -44.09 81.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.432 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . -65.32 -41.51 93.91 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.38 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.351 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.362 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' B' ' 50' ' ' VAL . 11.3 pt-20 -68.86 -52.47 29.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.494 HG22 ' O ' ' B' ' 50' ' ' VAL . 11.4 p 35.56 40.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.705 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.55 146.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -160.72 -45.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 53' ' ' ARG . 52.4 ttt-85 -173.39 -49.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.54 HG22 ' H ' ' B' ' 55' ' ' ARG . 4.5 m -71.98 -131.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.591 ' HD2' ' N ' ' B' ' 55' ' ' ARG . 0.2 OUTLIER 52.29 44.52 29.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -173.34 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.482 ' N ' HD23 ' B' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.9 tt0 -70.44 -20.69 62.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.823 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -74.18 -21.68 59.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.837 0.827 . . . . 0.0 110.136 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 mp -84.35 -45.65 12.56 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 26.1 tptp -80.71 -23.16 39.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.748 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.953 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.0 -48.59 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.663 0.744 . . . . 0.0 109.9 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -103.37 -10.98 18.19 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.392 -1.277 . . . . 0.0 109.361 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.527 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 63.4 m-80 67.18 25.35 9.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.55 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.615 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 42.7 m-20 64.91 132.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.206 0.527 . . . . 0.0 111.834 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -19.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.838 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' THR . 16.2 ptp180 -59.2 -56.84 16.96 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.633 0.254 . . . . 0.0 111.583 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 8.8 t -85.36 -29.8 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.233 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.7 tm? -60.7 -46.91 88.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.949 ' HD2' HD21 ' B' ' 22' ' ' LEU . 11.0 tpt180 -51.45 -35.99 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.442 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.44 -47.04 9.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 3.9 pt20 -62.67 -34.24 76.7 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.45 0.643 . . . . 0.0 109.961 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.05 -23.41 26.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.167 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.9 tpt180 -47.99 -32.2 6.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.915 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -83.51 26.63 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.383 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -162.43 -154.17 0.3 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.778 0.323 . . . . 0.0 111.264 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.2 p -102.09 174.38 5.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.04 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -68.61 -15.47 63.54 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.114 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.2 tt0 -41.12 -26.74 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.404 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 t -53.26 -42.22 66.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.085 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.04 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.45 -44.68 82.15 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.363 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.948 ' H ' HD12 ' A' ' 25' ' ' LEU . 36.3 tt0 -53.82 -26.31 23.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 65.8 mm-40 -82.71 -54.19 5.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 24' ' ' THR . 19.8 ptp -89.64 -45.87 9.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.827 HD12 HD23 ' B' ' 32' ' ' LEU . 40.4 tp -53.3 -41.87 66.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.883 0.373 . . . . 0.0 110.161 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 34' ' ' VAL . 85.8 tt0 -62.91 -33.66 75.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.639 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 34' ' ' VAL . 24.8 mmtp -86.46 -28.97 23.16 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.804 0.811 . . . . 0.0 109.542 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.065 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.9 tp -68.37 -24.12 64.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.346 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.986 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.0 pt-20 -86.13 -42.5 13.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 31' ' ' LYS . 20.5 m -60.18 -36.37 67.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.59 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 14.0 m -56.42 -48.87 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.6 -19.66 14.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.375 177.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' OD1' HD11 ' B' ' 4' ' ' LEU . 34.6 t30 -58.18 -37.49 74.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.62 -43.66 15.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.129 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.05 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.86 -48.52 65.91 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.744 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.615 HH11 ' HE ' ' B' ' 39' ' ' ARG . 22.4 mmm180 -53.52 -44.0 68.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.86 -35.14 51.35 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 41.1 tp10 -80.19 -36.29 35.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.353 . . . . 0.0 111.394 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.026 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 16.2 mm-40 -59.56 -49.44 77.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -58.15 -32.73 68.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -70.13 -39.74 75.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.537 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.673 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -62.8 -38.36 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.947 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.79 27.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.262 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -63.95 -42.29 97.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.777 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.6 p -53.76 101.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.547 0.689 . . . . 0.0 110.798 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.5 -137.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.261 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 37.8 tt0 66.0 127.16 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.087 0 CA-C-O 120.63 0.252 . . . . 0.0 111.033 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 52' ' ' GLU . 6.0 tpm_? 72.83 -52.17 0.71 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.737 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.1 t -68.02 -52.02 40.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.648 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 54' ' ' THR . 72.5 mtp180 -155.74 -146.62 0.18 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.912 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -178.35 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.808 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.769 0.319 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.53 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.8 tt0 -70.64 -19.32 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -73.87 -28.28 61.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.155 0.978 . . . . 0.0 110.211 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.5 mp -76.76 -45.82 27.54 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.271 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.1 tmtp? -77.6 -36.64 51.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.944 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.878 HG21 HD13 ' B' ' 32' ' ' LEU . 2.0 tt -53.71 -41.75 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-O 122.307 1.051 . . . . 0.0 108.956 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.1 tt -88.47 -28.11 21.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.635 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 62.31 12.73 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.594 ' CA ' HD22 ' B' ' 7' ' ' LEU . 2.7 m120 70.27 127.67 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.038 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.047 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.84 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.07 -35.37 22.65 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.704 -179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' B' ' 12' ' ' THR . 36.6 ptt180 -49.25 -43.8 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.07 0.462 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.685 HG23 ' HG3' ' B' ' 11' ' ' ARG . 25.9 p -88.14 -38.32 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.071 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 tt -63.72 -58.69 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.405 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -46.32 -28.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 111.152 -178.517 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.552 ' N ' ' HD3' ' B' ' 14' ' ' ARG . . . -85.51 -52.26 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.666 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 11.6 pt20 -61.98 -33.51 74.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.7 -22.95 27.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.158 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.64 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -48.48 -33.36 9.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.4 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -61.51 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.1 p -103.14 -144.28 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.319 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.628 HG22 ' H ' ' B' ' 22' ' ' LEU . 15.8 m -110.52 173.69 6.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.379 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.991 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.71 -14.3 8.18 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.552 0.215 . . . . 0.0 110.502 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.448 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.6 tp10 -39.83 -27.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.372 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' B' ' 22' ' ' LEU . 64.1 m -53.57 -43.67 68.68 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.235 178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.991 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -66.98 -45.09 78.72 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.693 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.6 tt0 -56.26 -24.86 45.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.5 tp10 -84.03 -53.54 5.48 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.3 mmt -88.88 -48.64 7.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.176 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.903 HD12 HD23 ' A' ' 32' ' ' LEU . 45.8 tp -59.06 -28.51 66.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.05 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.467 ' HB2' HG21 ' A' ' 10' ' ' ILE . 78.1 tt0 -72.61 -31.6 65.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.68 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.765 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -87.07 -32.24 20.07 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.76 0.791 . . . . 0.0 109.587 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.018 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 15.5 tp -66.61 -24.21 66.28 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.989 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.065 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -86.73 -45.48 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.169 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' B' ' 31' ' ' LYS . 34.7 m -63.7 -33.18 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.331 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 36' ' ' VAL . 8.0 p -58.47 -46.19 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.4 -20.66 12.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.66 177.444 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 29.6 t30 -55.88 -37.76 69.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.98 -43.07 20.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.892 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.026 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.53 -54.57 15.92 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.697 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' B' ' 36' ' ' VAL . 22.5 mmm180 -47.62 -39.83 17.93 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.706 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.5 -38.96 23.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.6 tt0 -78.01 -40.41 39.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 111.451 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.05 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 22.1 mm-40 -57.76 -47.56 82.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.78 -34.31 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.64 -44.73 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.702 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.66 95.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.99 81.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.798 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.4 -43.85 31.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 41.5 tp10 -72.43 -0.35 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.472 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.462 HG13 ' N ' ' B' ' 51' ' ' GLU . 9.6 p -46.34 -45.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.705 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' N ' HG13 ' B' ' 50' ' ' VAL . 44.6 tt0 63.05 140.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.018 0.437 . . . . 0.0 111.271 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.64 ' HG3' ' HG2' ' B' ' 53' ' ' ARG . 16.5 pt-20 -173.29 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.64 ' HG2' ' HG3' ' B' ' 52' ' ' GLU . 16.2 ptm180 -165.57 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.741 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.43 HG22 ' HG2' ' B' ' 55' ' ' ARG . 90.1 m -54.35 -38.32 65.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 51' ' ' GLU . 44.7 mmm-85 -144.76 146.47 32.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -154.08 -46.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.947 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.689 0.281 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.611 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 36.9 tt0 -75.25 -25.27 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.8 -21.25 34.58 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.916 0.865 . . . . 0.0 109.491 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD21 ' OD1' ' B' ' 37' ' ' ASN . 10.1 mt -82.23 -46.57 13.54 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.501 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.654 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.2 tmtp? -79.59 -24.05 42.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.276 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.1 HG21 HD13 ' A' ' 32' ' ' LEU . 3.3 tt -53.03 -45.6 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.607 0.718 . . . . 0.0 109.169 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.677 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -104.85 -7.19 19.57 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.479 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.57 30.46 17.06 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.944 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 33.8 m-20 61.71 129.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.874 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.35 -23.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.624 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 13.9 ptp180 -65.5 -51.66 58.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 94.8 m -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.206 0.526 . . . . 0.0 110.501 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 24' ' ' THR . 6.1 tt -63.89 -51.34 65.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' B' ' 22' ' ' LEU . 32.8 tpt85 -46.29 -32.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.27 -49.69 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.274 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.676 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.5 pt20 -65.29 -33.72 76.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.532 0.682 . . . . 0.0 109.735 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.3 -19.54 29.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.523 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -44.73 -30.06 0.88 Allowed 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.325 0.583 . . . . 0.0 109.748 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -115.32 45.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.1 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' ALA . 47.4 t -168.44 163.81 12.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' H ' ' A' ' 23' ' ' GLU . 57.1 m -68.39 155.62 39.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.183 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.102 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.22 -12.92 9.99 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.607 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.522 ' H ' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -39.71 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.758 -179.376 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 13' ' ' LEU . 4.9 t -52.76 -40.75 63.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.777 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.102 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.83 -43.12 76.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.09 0.472 . . . . 0.0 109.902 178.272 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.927 ' N ' HD12 ' A' ' 25' ' ' LEU . 29.0 tt0 -57.51 -23.69 51.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 81.4 tt0 -84.2 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.918 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.3 mmt -89.71 -46.27 8.73 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.872 HD12 HD23 ' B' ' 32' ' ' LEU . 34.5 tp -61.45 -26.6 67.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.6 tt0 -74.25 -35.1 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 111.268 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' A' ' 34' ' ' VAL . 53.9 mmtt -86.08 -28.46 24.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 109.592 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.1 HD13 HG21 ' A' ' 6' ' ' ILE . 16.3 tp -66.4 -26.13 67.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.021 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.041 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.3 pt-20 -85.13 -40.79 16.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.006 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 31' ' ' LYS . 22.9 m -68.01 -33.53 61.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.959 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.71 HG22 HG11 ' B' ' 36' ' ' VAL . 14.9 p -57.74 -48.15 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -78.04 -32.34 17.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.958 177.389 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.597 ' OD1' HD21 ' B' ' 4' ' ' LEU . 45.4 t30 -42.27 -42.83 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.583 0.706 . . . . 0.0 109.39 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.67 -40.25 73.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.929 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.915 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -75.39 -52.9 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.735 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.673 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 23.1 mmm180 -44.65 -37.65 3.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.88 -48.32 8.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.5 mm-40 -87.45 -44.8 11.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -57.13 -48.41 78.74 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -55.94 -35.73 66.98 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.48 -41.43 98.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.787 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.76 95.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.493 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.86 88.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.73 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 41.0 tp10 -56.58 -35.31 68.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.1 m 42.21 50.64 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.442 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HG2' ' HG3' ' A' ' 49' ' ' GLU . 52.0 mm-40 -56.29 127.46 30.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.656 0.265 . . . . 0.0 110.62 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -153.36 -45.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -172.86 46.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 5.9 t -60.03 140.77 56.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.418 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -59.92 139.47 57.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -172.4 39.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.087 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.1 pt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.474 ' HA ' HD23 ' B' ' 4' ' ' LEU . 47.0 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -73.18 -21.39 60.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.351 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.665 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.55 -25.15 38.79 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.929 0.871 . . . . 0.0 109.538 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.604 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -86.1 -37.3 18.96 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.16 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -85.37 -22.43 28.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.707 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.974 HG21 HD13 ' B' ' 32' ' ' LEU . 8.1 tt -54.38 -51.22 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-O 122.215 1.007 . . . . 0.0 109.499 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.732 ' HB2' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -100.02 -8.72 23.51 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.523 -1.672 . . . . 0.0 108.912 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' THR . 5.2 m120 63.19 27.63 15.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 39.7 m-20 62.43 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.221 0.534 . . . . 0.0 111.345 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.869 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -57.29 -19.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.844 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.3 ptm180 -62.21 -58.1 9.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -77.6 -30.19 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.325 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.759 HD21 HG21 ' B' ' 24' ' ' THR . 5.8 tt -62.09 -52.25 64.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.198 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 22' ' ' LEU . 11.9 tpt180 -45.54 -32.51 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.96 -47.02 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 112.14 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 7.2 pt20 -64.73 -35.51 81.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.711 0.767 . . . . 0.0 109.475 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.52 -19.2 29.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.598 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.0 ttt180 -44.03 -30.95 0.8 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.237 0.542 . . . . 0.0 109.688 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -112.63 45.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.068 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 17' ' ' ALA . 47.4 t -168.53 162.68 12.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.064 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 23' ' ' GLU . 58.0 m -67.41 155.44 38.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -60.77 -12.15 9.78 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 44.0 tt0 -39.27 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.759 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -53.71 -36.59 62.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.942 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -72.88 -45.09 60.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.241 178.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.928 ' H ' HD12 ' B' ' 25' ' ' LEU . 12.2 pt-20 -60.4 -19.68 56.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.3 tp10 -83.79 -58.21 2.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.611 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 58.5 mtt -90.13 -45.62 9.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.641 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.876 HD12 HD23 ' A' ' 32' ' ' LEU . 31.8 tp -61.44 -27.03 68.27 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.147 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.681 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 38.9 tt0 -75.26 -32.68 61.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.656 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.7 mmtp -87.37 -27.94 22.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.96 0.886 . . . . 0.0 109.576 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.041 HD11 ' HA ' ' A' ' 33' ' ' GLU . 25.5 tp -67.87 -24.76 65.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.698 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.98 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.11 -36.52 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 178.245 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.667 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.8 m -68.89 -35.48 69.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.91 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.729 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 4.7 m -54.93 -53.33 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -74.38 -27.22 21.16 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 120.344 -0.543 . . . . 0.0 111.015 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 33.9 t30 -49.19 -41.38 36.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.167 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -77.98 -41.93 34.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.842 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.538 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 22.6 mmm180 -54.23 -38.1 65.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -87.53 -47.05 9.04 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.543 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -88.25 -44.85 10.54 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.915 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.6 tm-20 -59.48 -47.7 84.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.074 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -54.76 -34.19 62.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.05 -42.16 89.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.889 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.75 95.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.744 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.69 65.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.27 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.29 90.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.75 -37.02 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 50' ' ' VAL . 12.3 p 41.34 46.2 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.325 0.583 . . . . 0.0 111.334 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.24 139.46 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -160.26 -37.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 64.9 mtm-85 -146.97 -42.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 60.1 p 50.01 -138.3 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.964 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -174.69 136.13 0.42 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.664 ' HZ3' ' HB3' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -161.38 138.08 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.752 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.497 ' C ' HD12 ' B' ' 57' ' ' LEU . 2.5 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.316 -0.85 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.709 ' HA ' HD22 ' A' ' 4' ' ' LEU . 47.4 t . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.773 0.32 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.2 tt0 -72.92 -29.57 63.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -75.21 -23.07 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.027 0.918 . . . . 0.0 110.23 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -81.94 -44.44 16.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.916 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.66 -23.38 34.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.83 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.89 -49.42 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.661 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -100.34 -11.16 20.52 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.22 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 65.67 28.86 11.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.542 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.2 m-20 61.81 129.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.841 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -61.5 -27.58 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.87 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.3 ptp180 -49.67 -50.75 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.281 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 99.1 m -83.43 -33.78 25.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.788 HD21 HD22 ' B' ' 25' ' ' LEU . 2.2 tp -63.06 -61.56 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.656 ' HA ' HD11 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -46.19 -25.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 -177.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.5 7.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.01 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 6.8 pt20 -63.0 -36.55 83.92 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 109.768 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.587 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.26 -19.56 29.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.549 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.6 tpt180 -43.5 -30.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.2 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.83 36.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.508 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' ALA . 68.7 m -164.35 -165.41 0.96 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.981 0.42 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 23' ' ' GLU . 64.1 m -87.67 155.29 20.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.222 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.065 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.9 -13.78 27.97 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.481 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 24.8 pt-20 -39.67 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 111.401 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 HD13 ' A' ' 13' ' ' LEU . 93.8 m -51.91 -36.94 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.065 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -72.45 -44.03 62.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.934 ' H ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -59.42 -21.0 59.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 5.4 tp10 -84.05 -56.32 3.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.607 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -89.7 -47.79 7.7 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 HD23 ' B' ' 32' ' ' LEU . 41.5 tp -59.57 -22.52 61.87 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.124 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 34' ' ' VAL . 39.9 tt0 -79.36 -31.94 43.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.189 0.519 . . . . 0.0 110.5 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.666 ' HA ' HG22 ' A' ' 34' ' ' VAL . 54.2 mmtt -87.08 -28.86 22.29 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.733 0.777 . . . . 0.0 109.763 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.05 HD23 HD12 ' B' ' 29' ' ' LEU . 23.6 tp -68.93 -24.8 64.32 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.521 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.823 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.7 pt-20 -84.48 -34.6 23.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.9 m -71.8 -36.98 60.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.174 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.696 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m -56.06 -49.38 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -81.72 -18.23 11.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.009 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 34.1 t30 -59.12 -41.77 88.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.71 -42.66 60.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.378 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.148 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.77 -32.26 71.88 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.572 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.892 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.2 mmm180 -64.51 -44.9 89.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -85.54 -27.68 25.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.051 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -82.31 -39.65 22.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.603 0.24 . . . . 0.0 111.632 -178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.051 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.4 mm-40 -60.05 -48.59 81.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 93.1 p -56.33 -33.28 65.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -71.69 -39.93 69.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.441 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.55 94.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.25 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.27 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.562 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.8 88.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.074 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 51' ' ' GLU . 10.4 p -55.59 -46.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 50' ' ' VAL . 56.5 mm-40 -154.67 132.06 11.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.72 0.295 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.98 -43.9 18.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.397 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 6.2 tpm_? -175.32 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.531 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.8 t -87.45 132.85 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' H ' ' HD2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -70.16 136.95 50.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.63 -46.62 84.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.881 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.496 ' HA ' HD22 ' B' ' 4' ' ' LEU . 54.1 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 -75.09 -32.51 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.8 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.81 -24.87 58.71 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.029 0.919 . . . . 0.0 110.431 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.4 OUTLIER -83.18 -43.95 15.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.438 -179.002 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.29 -24.18 32.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 32' ' ' LEU . 2.9 tt -54.72 -45.82 73.53 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.683 0.754 . . . . 0.0 109.81 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.28 -11.45 16.5 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.525 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 65.46 32.72 9.32 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.073 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 61.81 126.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.03 -29.69 22.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.856 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 36.2 ptt180 -54.79 -51.07 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 98.2 m -75.38 -34.51 61.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.812 HD21 HD22 ' A' ' 25' ' ' LEU . 6.9 tp -61.75 -59.74 4.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.471 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 37.3 ttt85 -45.42 -26.57 0.57 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.541 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.39 -51.29 6.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.048 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 13.3 pt20 -63.68 -35.45 80.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.622 0.725 . . . . 0.0 110.239 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.69 -19.8 28.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.635 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.61 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -42.84 -30.3 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.255 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -98.82 37.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.528 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 17' ' ' ALA . 62.0 m -163.41 -165.22 1.03 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.482 HG22 ' N ' ' B' ' 22' ' ' LEU . 47.7 m -95.87 160.22 14.58 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 1.021 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -59.0 -13.92 7.93 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.692 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.609 ' HA ' ' HG2' ' B' ' 26' ' ' GLU . 88.2 tt0 -40.28 -26.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 13' ' ' LEU . 5.1 t -54.29 -38.22 65.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.034 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.021 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -72.33 -45.07 61.56 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.945 ' H ' HD12 ' B' ' 25' ' ' LEU . 15.6 pt-20 -58.65 -20.8 51.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.1 tp10 -83.18 -58.82 2.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.666 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.9 mtt -89.92 -44.7 9.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 32' ' ' LEU . 35.8 tp -59.3 -35.51 73.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 18.0 tp10 -66.97 -31.19 71.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.676 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -83.15 -28.06 29.66 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.803 0.811 . . . . 0.0 109.352 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.951 HD13 HG21 ' B' ' 6' ' ' ILE . 17.9 tp -68.25 -25.35 65.13 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.618 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.002 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.26 -37.18 18.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.728 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.676 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.4 m -68.01 -35.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 32' ' ' LEU . 13.1 p -56.56 -42.57 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.681 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -85.19 -20.63 8.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.915 177.233 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 33.4 t30 -53.72 -36.1 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -84.27 -45.52 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.268 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.051 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.5 -53.49 22.92 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 36' ' ' VAL . 18.7 mmm180 -48.55 -40.38 26.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.664 0.269 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -84.27 -39.46 19.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -78.58 -38.62 39.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.753 -178.711 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.148 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.1 mm-40 -58.17 -46.96 84.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.55 -35.16 69.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.68 -40.55 84.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.272 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.585 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -60.83 -40.87 94.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.403 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.55 96.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.605 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.03 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.009 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.22 -43.11 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.294 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.585 HG22 ' O ' ' B' ' 46' ' ' ALA . 17.2 m -71.41 70.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.945 0.403 . . . . 0.0 111.501 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 68.15 131.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.182 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.38 -42.27 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -174.69 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 81.5 p -70.88 131.3 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.518 ' H ' ' HD2' ' B' ' 55' ' ' ARG . 0.0 OUTLIER -64.19 133.69 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.714 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -68.97 -43.74 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.905 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.542 ' H1 ' HD22 ' A' ' 4' ' ' LEU . 50.0 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 43.5 tp10 -78.26 -34.97 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.647 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -76.56 -22.29 54.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.739 HD11 ' ND2' ' B' ' 37' ' ' ASN . 0.3 OUTLIER -85.53 -45.39 11.83 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.317 -178.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -82.31 -22.61 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.824 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.783 HG21 HD13 ' A' ' 32' ' ' LEU . 5.3 tt -54.09 -52.58 35.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-O 121.925 0.869 . . . . 0.0 109.737 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.911 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -99.59 -10.39 22.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.887 -1.506 . . . . 0.0 108.856 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 63.32 32.55 14.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.058 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 26.8 m-20 60.22 128.91 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.69 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.703 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -55.5 -24.49 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 179.797 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.5 ptp180 -63.82 -53.07 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.406 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 93.7 m -74.28 -36.17 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.372 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.625 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 6.2 tt -63.62 -50.7 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.678 ' HD2' HD21 ' B' ' 22' ' ' LEU . 34.0 tpt85 -46.68 -33.36 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.34 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.96 -49.87 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.403 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.625 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.6 pt20 -63.78 -34.71 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.574 0.702 . . . . 0.0 110.055 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.59 27.81 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 80.3 ttt180 -44.05 -29.46 0.6 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -103.27 41.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.209 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.3 m -156.96 -144.11 0.13 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 22' ' ' LEU . 32.6 m -126.13 164.28 21.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.668 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.933 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.32 -15.5 16.51 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.51 0.195 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -41.87 -24.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.261 0.553 . . . . 0.0 110.126 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 13' ' ' LEU . 87.0 m -53.95 -39.02 65.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.958 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -72.11 -47.18 53.13 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 1.009 ' H ' HD12 ' A' ' 25' ' ' LEU . 11.6 pt-20 -56.22 -23.72 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.8 tt0 -83.65 -54.33 5.0 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.06 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -89.48 -46.96 8.31 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.009 ' HG ' HD22 ' B' ' 7' ' ' LEU . 30.1 tp -54.98 -41.88 71.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' O ' HG13 ' A' ' 34' ' ' VAL . 34.8 tt0 -62.36 -31.66 72.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.1 mmtp -87.67 -31.96 19.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.652 0.739 . . . . 0.0 110.041 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.049 HD11 ' HA ' ' B' ' 33' ' ' GLU . 23.3 tp -69.11 -24.18 64.09 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.892 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.925 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.52 -38.87 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.351 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 31' ' ' LYS . 29.1 m -69.21 -36.92 75.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.0 m -55.98 -50.8 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.8 p -79.29 -19.11 12.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.674 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.9 t30 -61.21 -47.38 86.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.6 -42.08 83.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.004 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -71.87 -26.87 62.52 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.258 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 36' ' ' VAL . 1.2 mmm180 -66.75 -43.55 83.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -84.94 -26.9 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.686 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.041 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 12.6 mm-40 -62.53 -47.75 82.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -54.9 -33.33 61.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.55 -45.94 70.8 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.376 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.54 -39.64 94.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.862 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.76 77.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.12 85.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.44 -47.89 84.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 46' ' ' ALA . 7.4 p -77.05 72.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.534 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -65.17 -151.26 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -179.14 44.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 7.7 ptm180 -173.57 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.063 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.4 m -60.82 -34.13 74.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.038 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 39.2 mmm-85 68.56 132.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.57 135.07 55.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.583 HD22 ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.819 ' H3 ' HD22 ' B' ' 4' ' ' LEU . 79.5 p . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.582 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 -83.2 -35.11 25.71 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.324 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.28 -27.09 60.57 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.819 HD22 ' H3 ' ' B' ' 1' ' ' SER . 0.9 OUTLIER -84.11 -44.56 13.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.407 -178.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.506 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 19.4 tptm -79.54 -26.04 41.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.849 HG21 HD13 ' B' ' 32' ' ' LEU . 2.6 tt -54.84 -46.12 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.529 0.68 . . . . 0.0 109.937 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 1.009 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.44 -11.55 16.38 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.628 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.506 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 66.0 m-80 67.48 30.51 6.76 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.542 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 28.4 m-20 62.19 127.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.2 -22.59 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' B' ' 12' ' ' THR . 15.4 ptp180 -63.57 -54.27 38.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.566 HG23 ' HG3' ' B' ' 11' ' ' ARG . 16.1 p -74.59 -37.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.176 0.512 . . . . 0.0 110.275 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.67 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 5.9 tt -60.16 -51.85 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.644 ' HD2' HD21 ' A' ' 22' ' ' LEU . 35.9 tpt85 -46.97 -33.18 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.85 -49.54 8.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.67 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.0 pt20 -64.85 -33.83 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.064 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.97 27.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.525 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.7 ttt180 -43.1 -29.79 0.39 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -105.02 43.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.3 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.2 m -157.58 -145.54 0.15 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.468 HG22 ' N ' ' B' ' 22' ' ' LEU . 41.7 m -126.31 160.27 30.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.687 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.905 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -58.28 -16.09 12.77 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.604 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.503 ' N ' HD23 ' B' ' 22' ' ' LEU . 43.9 tt0 -41.41 -27.33 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.065 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 25' ' ' LEU . 4.7 t -55.65 -42.83 75.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.338 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.922 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.2 pp -67.42 -44.1 79.62 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.196 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' B' ' 25' ' ' LEU . 79.1 tt0 -54.27 -27.07 32.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.68 -50.74 7.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.06 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.5 mtt -88.8 -48.32 7.58 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.911 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.9 tp -53.75 -38.23 64.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.131 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 34.3 tt0 -64.18 -34.15 77.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.964 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.7 mmtp -86.32 -27.32 24.39 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.407 0.622 . . . . 0.0 110.15 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.6 tp -70.33 -26.1 63.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.762 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 1.049 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.0 pt-20 -85.03 -39.06 18.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.991 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.783 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.3 m -70.85 -38.44 72.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.052 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.772 HG22 HG21 ' A' ' 36' ' ' VAL . 8.7 p -55.78 -47.23 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.2 p -83.76 -19.31 9.61 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.137 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.739 ' ND2' HD11 ' A' ' 4' ' ' LEU . 32.0 t-20 -52.64 -43.17 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.67 -40.45 69.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.85 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.041 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.07 -51.96 33.41 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.142 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.82 ' HG2' HG22 ' B' ' 36' ' ' VAL . 6.5 mmm180 -48.19 -40.14 23.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.599 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.2 -39.61 16.45 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -80.94 -42.5 21.21 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 1.004 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 17.9 mm-40 -58.63 -47.79 83.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.667 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -56.06 -33.53 65.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -68.19 -43.87 77.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.299 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.418 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -61.3 -39.45 90.49 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.615 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.71 70.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.89 92.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.781 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.0 -38.23 82.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.774 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 46' ' ' ALA . 31.9 m -76.49 53.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.91 -134.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.848 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.646 ' HG3' ' HG3' ' B' ' 53' ' ' ARG . 16.7 pt-20 -173.61 -152.65 0.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.646 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 99.1 mtt180 58.24 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.822 0.344 . . . . 0.0 111.243 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.474 ' N ' ' O ' ' B' ' 52' ' ' GLU . 7.6 t -71.81 136.29 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -63.15 136.99 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -78.11 45.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.578 0.228 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.06 -22.9 44.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.793 0.806 . . . . 0.0 110.506 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' B' ' 33' ' ' GLU . 2.1 mm? -84.52 -46.19 11.85 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.384 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.23 -23.66 37.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.242 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 32' ' ' LEU . 9.1 tt -53.85 -50.8 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 122.087 0.946 . . . . 0.0 109.876 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.893 HD13 HD21 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -102.73 -9.72 19.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.911 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' THR . 0.7 OUTLIER 60.75 25.78 15.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.509 -179.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.67 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.1 m120 67.5 128.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -52.16 -26.69 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.383 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.4 ptt180 -52.64 -50.1 63.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.634 0.254 . . . . 0.0 111.596 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 8' ' ' ASN . 15.0 t -84.34 -33.96 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.719 0.295 . . . . 0.0 111.63 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.668 ' HA ' HE21 ' A' ' 16' ' ' GLN . 4.8 tt -61.68 -57.73 10.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.413 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.827 ' HG3' HD21 ' B' ' 22' ' ' LEU . 73.5 ttt180 -48.48 -27.72 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.462 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 -50.13 7.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.116 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.668 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.9 pt20 -64.48 -33.51 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.49 0.662 . . . . 0.0 109.865 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -85.98 -22.56 27.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.389 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.4 ttt-85 -43.98 -31.41 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.8 35.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.42 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' ALA . 81.2 p -168.49 -162.83 0.42 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.622 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.672 HG22 ' H ' ' A' ' 23' ' ' GLU . 86.0 m -89.04 155.43 19.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.317 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.115 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -60.86 -12.7 11.82 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.672 ' H ' HG22 ' A' ' 21' ' ' THR . 89.2 tt0 -39.17 -25.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.589 0.233 . . . . 0.0 110.797 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 17' ' ' ALA . 70.1 p -50.8 -40.33 55.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.115 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.64 -43.78 75.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.872 178.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.934 ' HA ' HG21 ' B' ' 10' ' ' ILE . 27.8 tt0 -57.58 -23.62 51.7 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.7 tp10 -83.95 -54.17 5.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.748 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.4 mtt -90.24 -46.78 8.2 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.905 HD21 HD13 ' B' ' 7' ' ' LEU . 15.3 tp -61.26 -40.76 95.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.714 ' O ' HG13 ' A' ' 34' ' ' VAL . 81.2 tt0 -62.76 -34.88 78.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.909 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.692 ' HA ' HG22 ' A' ' 34' ' ' VAL . 66.4 mmtt -86.5 -26.56 24.53 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.685 0.755 . . . . 0.0 109.727 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.99 HD11 ' HA ' ' B' ' 33' ' ' GLU . 53.4 tp -69.67 -24.86 63.67 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.065 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -86.21 -35.84 19.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.407 178.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 30' ' ' GLU . 12.4 m -70.18 -36.5 68.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.754 HG22 HG21 ' B' ' 36' ' ' VAL . 7.5 p -59.92 -50.8 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.2 p -75.72 -18.95 15.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.777 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' ND2' HD11 ' B' ' 4' ' ' LEU . 30.4 t-20 -57.36 -48.43 79.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.42 -42.95 82.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.315 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.085 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.01 -30.87 69.35 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.359 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.867 ' HG2' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -65.91 -43.84 86.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.94 -28.62 27.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.429 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 52.1 mt-10 -86.6 -39.74 15.85 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.058 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.7 mm-40 -62.3 -45.34 93.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.753 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.23 -44.19 72.53 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.47 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.121 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.786 179.712 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.504 0.192 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.02 -22.98 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.891 0.853 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.769 HD13 ' OE1' ' A' ' 33' ' ' GLU . 2.0 mm? -84.44 -46.2 11.91 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.403 -1.272 . . . . 0.0 110.429 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -81.32 -23.54 37.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.217 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.754 HG21 HD13 ' B' ' 32' ' ' LEU . 9.1 tt -53.88 -50.95 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 122.095 0.95 . . . . 0.0 109.75 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.905 HD13 HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -102.69 -9.57 19.94 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 113.71 -1.587 . . . . 0.0 108.964 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.559 ' O ' HG22 ' B' ' 12' ' ' THR . 0.7 OUTLIER 60.68 25.64 15.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.582 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.675 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.1 m120 67.69 128.82 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -52.15 -26.7 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.362 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 12' ' ' THR . 38.3 ptt180 -52.74 -50.02 64.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.617 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.559 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -84.28 -34.1 23.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.612 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.679 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.8 tt -61.71 -57.6 11.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.435 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.829 ' HG3' HD21 ' A' ' 22' ' ' LEU . 73.5 ttt180 -48.54 -27.67 2.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.789 0.328 . . . . 0.0 111.415 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.44 -50.33 7.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.141 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -64.29 -33.61 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.541 0.686 . . . . 0.0 109.909 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -85.91 -22.64 27.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.35 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.3 ttt-85 -43.96 -31.39 0.88 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.75 35.49 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.414 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.41 ' N ' ' O ' ' B' ' 17' ' ' ALA . 82.1 p -168.44 -162.8 0.42 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.889 0.376 . . . . 0.0 111.717 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.67 HG22 ' H ' ' B' ' 23' ' ' GLU . 86.2 m -89.07 155.46 19.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.5 OUTLIER -60.94 -12.76 12.31 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.296 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.67 ' H ' HG22 ' B' ' 21' ' ' THR . 89.2 tt0 -39.01 -25.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.591 HG21 ' HB2' ' B' ' 17' ' ' ALA . 69.7 p -50.85 -40.4 55.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.47 -43.93 75.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.91 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 27.8 tt0 -57.56 -23.57 51.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.7 tp10 -84.04 -54.08 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.739 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 64.5 mtt -90.34 -46.64 8.26 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.893 HD21 HD13 ' A' ' 7' ' ' LEU . 15.3 tp -61.26 -40.88 95.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.702 ' O ' HG13 ' B' ' 34' ' ' VAL . 81.3 tt0 -62.7 -34.78 77.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.702 ' HA ' HG22 ' B' ' 34' ' ' VAL . 66.4 mmtt -86.64 -26.45 24.35 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.986 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 53.5 tp -69.75 -24.72 63.57 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.157 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.99 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.31 -35.85 19.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.336 178.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.702 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.6 m -70.25 -36.54 67.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.735 HG22 HG21 ' A' ' 36' ' ' VAL . 7.4 p -59.77 -50.89 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.2 p -75.66 -18.97 15.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.741 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.525 ' ND2' HD11 ' A' ' 4' ' ' LEU . 30.2 t-20 -57.42 -48.39 79.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.53 -42.8 82.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.366 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.058 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.1 -30.72 69.07 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.357 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' B' ' 36' ' ' VAL . 0.3 OUTLIER -66.16 -43.66 86.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.513 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.95 -28.71 27.62 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.603 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 52.1 mt-10 -86.53 -39.87 15.81 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.085 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.7 mm-40 -62.2 -45.36 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.758 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.39 -33.9 66.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.22 -44.31 72.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.463 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 179.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 86.6 tt0 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 120.682 0.277 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -74.79 -22.02 58.98 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.925 0.869 . . . . 0.0 109.914 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -84.11 -44.45 14.03 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.776 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 45.4 tptt -80.1 -25.02 40.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.982 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.49 -56.7 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-O 121.71 0.767 . . . . 0.0 109.058 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.18 -11.67 37.68 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.537 179.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.457 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 20.0 t-20 64.06 34.95 10.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.428 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.539 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.5 m120 59.01 129.09 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.764 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.8 -28.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.929 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.0 ptp180 -58.48 -52.9 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 98.5 m -73.15 -34.11 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.291 0.567 . . . . 0.0 110.58 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.978 HD21 HD22 ' B' ' 25' ' ' LEU . 6.1 tp -62.01 -60.19 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.427 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.849 ' HG3' HD21 ' B' ' 22' ' ' LEU . 72.5 ttt180 -45.62 -24.92 0.39 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.759 0.314 . . . . 0.0 111.386 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.17 -50.12 7.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.607 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -66.17 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.38 0.61 . . . . 0.0 110.117 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.52 -20.48 27.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.404 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 41.1 ttt85 -43.92 -29.76 0.61 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.516 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.0 39.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.485 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -163.5 -166.6 1.25 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.961 0.41 . . . . 0.0 111.456 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 22' ' ' LEU . 38.7 m -96.92 162.2 13.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.683 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.39 -15.34 10.28 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.515 0.198 . . . . 0.0 110.586 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.49 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.559 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 13' ' ' LEU . 5.2 t -52.22 -43.03 64.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.891 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 22' ' ' LEU . 1.2 pp -68.11 -42.81 79.7 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.7 tm-20 -54.17 -26.62 28.92 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 50.5 mt-10 -83.19 -48.97 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.837 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.471 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 20.5 mmt -89.27 -49.93 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.963 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.837 ' HG ' HD22 ' B' ' 7' ' ' LEU . 61.8 tp -56.0 -36.56 68.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.409 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 34' ' ' VAL . 42.4 tt0 -69.43 -33.25 72.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.531 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 34' ' ' VAL . 60.0 mmtt -87.45 -32.23 19.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.721 0.772 . . . . 0.0 110.215 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.982 HD13 HG21 ' A' ' 6' ' ' ILE . 23.0 tp -67.44 -23.49 65.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.755 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.8 pt-20 -85.32 -40.78 16.16 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.049 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.8 m -68.62 -37.09 77.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.244 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.677 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 6.4 p -56.02 -47.6 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.766 HG22 ' HG2' ' A' ' 40' ' ' ARG . 8.0 p -83.48 -20.37 9.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.007 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 31.2 t30 -56.5 -38.77 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.9 -41.79 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.049 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.831 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.79 -49.92 23.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.417 0.627 . . . . 0.0 110.53 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.766 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.9 mmt-85 -47.04 -39.01 11.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -87.15 -54.84 4.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -88.51 -39.35 14.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.831 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 66.2 mm-40 -72.85 -42.67 63.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.869 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -55.14 -33.66 63.09 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.43 -43.93 97.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 0.0 109.215 177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.829 178.549 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.579 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.2 tp10 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 120.494 0.187 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -86.05 -24.42 26.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.689 0.756 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.627 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.4 mm? -86.29 -42.05 14.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.913 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -83.31 -23.5 32.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.753 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.735 HG21 HD13 ' B' ' 32' ' ' LEU . 6.0 tt -53.92 -50.93 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.856 0.836 . . . . 0.0 109.637 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.837 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -101.75 -4.61 26.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.122 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 50.97 37.29 17.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.257 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.52 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.5 m120 62.82 130.01 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.13 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.845 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.34 -31.32 26.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.567 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -55.51 -50.59 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.434 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.8 m -72.67 -35.69 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.764 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.2 tp -62.8 -59.54 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.508 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' B' ' 18' ' ' ARG . 75.8 mtp180 -43.6 -27.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.034 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.671 ' HA ' ' HG2' ' B' ' 18' ' ' ARG . . . -83.72 -49.34 9.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.826 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.764 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -66.81 -25.61 66.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.399 0.618 . . . . 0.0 110.008 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -85.6 -18.87 32.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.583 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.671 ' HG2' ' HA ' ' B' ' 15' ' ' ALA . 23.7 mmm180 -39.87 -31.05 0.1 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.193 0.52 . . . . 0.0 109.688 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.82 49.08 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.131 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 17' ' ' ALA . 46.7 t -173.33 152.6 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.559 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.4 m -72.36 167.68 19.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.941 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -56.73 -14.97 3.77 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.767 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -40.31 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.611 0.243 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.662 HG21 HD11 ' B' ' 13' ' ' LEU . 4.7 t -53.92 -42.18 68.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.238 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.978 HD22 HD21 ' A' ' 13' ' ' LEU . 1.1 pp -68.27 -43.44 77.79 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 110.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.924 ' H ' HD12 ' B' ' 25' ' ' LEU . 37.6 tt0 -58.22 -23.77 56.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.1 tt0 -83.87 -53.33 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.634 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 21.2 mmt -89.85 -49.22 6.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.373 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.975 HD12 HD23 ' A' ' 32' ' ' LEU . 22.1 tp -60.84 -33.99 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.533 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 34' ' ' VAL . 32.2 tt0 -66.61 -33.46 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -85.3 -28.34 25.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.739 0.78 . . . . 0.0 109.533 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.895 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.4 tp -64.73 -26.61 68.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.579 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.953 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.2 pt-20 -85.67 -39.45 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.696 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' B' ' 31' ' ' LYS . 14.2 m -65.12 -34.59 71.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.807 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 27.5 m -55.84 -45.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.672 ' HA ' ' HB2' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -81.44 -20.35 10.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.522 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.9 t-20 -53.61 -36.58 62.13 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -82.11 -44.2 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.227 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.931 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.4 -56.27 7.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.902 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.644 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmt180 -46.65 -38.85 10.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -86.11 -50.81 6.74 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.4 tt0 -88.75 -42.57 11.86 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.931 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 44.4 mm-40 -70.25 -45.04 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.93 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -55.12 -33.27 62.72 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.8 -43.28 96.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.497 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.1 178.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 5.5 tp10 . . . . . 0 C--O 1.227 -0.104 0 CA-C-O 120.74 0.305 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.59 -26.6 45.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 122.105 0.955 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 4' ' ' LEU . 1.3 mm? -84.59 -40.71 17.2 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.303 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 44.9 tptt -76.19 -36.35 58.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.86 -53.42 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 122.523 1.154 . . . . 0.0 108.548 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' B' ' 33' ' ' GLU . 2.3 tt -75.18 -27.06 59.5 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.933 -1.94 . . . . 0.0 108.741 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' THR . 6.2 m120 66.15 6.19 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.607 ' CA ' HD22 ' A' ' 7' ' ' LEU . 71.6 m-80 67.98 124.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.399 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.046 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -50.03 -27.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.509 -179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 34.0 ptt85 -53.79 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.24 . . . . 0.0 111.343 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 8' ' ' ASN . 13.2 t -86.98 -29.79 21.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 111.042 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.836 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.6 tt -61.72 -60.3 3.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.649 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 68.9 mtp180 -44.89 -31.86 1.4 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.946 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.43 13.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.728 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 13' ' ' LEU . 24.9 pt20 -63.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.76 0.791 . . . . 0.0 109.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.4 -20.88 27.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.636 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.5 ttt-85 -44.82 -32.07 1.44 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -91.63 31.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.432 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 58.7 m -164.69 -162.85 0.68 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 111.319 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.2 m -92.05 160.72 15.09 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.01 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -59.67 -13.98 12.02 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.438 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' HD23 ' A' ' 22' ' ' LEU . 2.1 pp20? -39.91 -25.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.63 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.515 HG21 HD21 ' A' ' 13' ' ' LEU . 5.0 t -51.0 -42.2 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.01 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.8 -41.81 78.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.926 ' N ' HD12 ' A' ' 25' ' ' LEU . 81.7 tt0 -55.8 -24.5 36.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 tt0 -84.27 -53.64 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.02 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -88.96 -46.59 8.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.112 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD12 HD23 ' B' ' 32' ' ' LEU . 38.6 tp -60.67 -23.06 64.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.719 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -78.0 -32.45 51.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.813 ' HA ' HG22 ' A' ' 34' ' ' VAL . 26.1 mmtp -86.62 -33.61 20.09 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.692 0.758 . . . . 0.0 109.866 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.995 HD11 ' HA ' ' B' ' 33' ' ' GLU . 12.0 tp -64.66 -25.5 67.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.195 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.99 -43.87 13.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.771 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 31' ' ' LYS . 27.1 m -64.64 -31.76 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.498 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.782 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 26.9 m -56.43 -45.14 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.685 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -76.28 -35.15 27.0 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.837 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 51.6 t30 -42.83 -39.53 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.51 -46.01 34.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.519 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.822 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.09 -52.34 14.64 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 121.116 0.484 . . . . 0.0 110.901 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.0 mmm180 -43.13 -38.76 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.14 -0.35 . . . . 0.0 110.347 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.49 -45.34 11.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.5 mm-40 -84.8 -43.9 13.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.956 0.408 . . . . 0.0 112.029 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.036 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.2 tm-20 -55.96 -47.84 76.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -55.85 -36.14 67.21 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.08 -40.58 90.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.984 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.418 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.556 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 . . . . . 0 C--O 1.227 -0.108 0 CA-C-O 120.819 0.342 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.718 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -79.04 -19.98 50.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -82.22 -43.14 18.02 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.915 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.725 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.7 tmtt? -84.7 -23.17 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.965 HG21 HD13 ' B' ' 32' ' ' LEU . 3.7 tt -52.99 -45.47 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.586 0.708 . . . . 0.0 109.418 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.705 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.11 -9.27 17.9 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.59 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.35 34.39 13.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.575 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 62.2 126.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.78 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -53.38 -28.72 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.462 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.581 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.3 ptt180 -59.4 -48.32 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.3 m -79.8 -39.92 29.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.59 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 tt -64.18 -53.52 48.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.473 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.838 ' HG2' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -48.59 -29.32 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.15 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' B' ' 18' ' ' ARG . . . -86.24 -50.88 6.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.659 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.1 pt20 -63.45 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.525 0.678 . . . . 0.0 109.969 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.61 -24.09 27.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.256 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.1 ttt-85 -46.05 -32.09 2.65 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -84.26 26.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -161.81 -155.35 0.38 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.369 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 23' ' ' GLU . 49.0 m -96.32 158.35 15.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.002 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -60.83 -13.33 14.73 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.437 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.453 ' H ' HG22 ' B' ' 21' ' ' THR . 43.3 tt0 -40.03 -25.38 0.02 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.624 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -51.74 -37.95 53.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.33 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.002 HD21 HD12 ' B' ' 22' ' ' LEU . 0.7 OUTLIER -67.73 -44.51 77.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.125 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 1.046 ' HA ' HG21 ' A' ' 10' ' ' ILE . 26.0 tt0 -58.65 -21.69 54.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.8 tp10 -82.97 -56.17 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.721 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.3 mmt -90.93 -45.87 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 32' ' ' LEU . 44.3 tp -62.67 -40.65 97.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.992 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' B' ' 26' ' ' GLU . 40.4 tt0 -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 111.082 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.5 mmtp -86.09 -25.13 26.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.594 0.711 . . . . 0.0 109.095 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.966 HD11 ' HA ' ' A' ' 33' ' ' GLU . 17.0 tp -67.8 -26.48 66.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.798 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.995 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.3 pt-20 -83.84 -38.56 21.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.97 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' B' ' 31' ' ' LYS . 26.2 m -72.08 -38.17 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.3 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.519 HG12 ' C ' ' B' ' 32' ' ' LEU . 7.2 p -55.97 -48.94 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.772 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.5 p -79.36 -32.52 14.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.755 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 33.7 t30 -42.72 -43.16 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 109.717 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.27 -42.45 93.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.749 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.036 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.11 -49.73 22.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.567 179.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.772 ' HG2' HG22 ' B' ' 36' ' ' VAL . 7.1 mmm180 -45.06 -41.39 7.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.861 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 42' ' ' GLU . 16.8 pt-20 -88.06 -46.53 9.25 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 41' ' ' GLU . 55.8 mt-10 -87.27 -43.97 11.78 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.822 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 25.4 tp10 -59.56 -45.8 90.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.786 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -57.97 -35.54 71.31 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.31 -41.61 96.75 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.998 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.398 179.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.7 tt0 . . . . . 0 C--O 1.222 -0.344 0 CA-C-O 120.576 0.227 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.636 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.86 -26.73 44.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.918 0.866 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.599 HD22 ' H ' ' A' ' 4' ' ' LEU . 1.3 mm? -84.89 -37.37 20.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.392 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.636 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.18 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.845 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.67 -53.11 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.487 0.66 . . . . 0.0 109.617 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -95.64 -8.58 34.44 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.031 178.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 m120 62.76 28.65 16.58 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.749 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 3.7 m120 63.51 129.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.174 0.511 . . . . 0.0 111.68 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -59.69 -21.09 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.591 179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 39.0 ptt180 -60.19 -55.82 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 8' ' ' ASN . 14.8 t -78.74 -31.97 46.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 13' ' ' LEU . 5.8 tt -61.4 -46.07 91.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.227 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.654 ' HD2' HD21 ' B' ' 22' ' ' LEU . 24.4 tpt180 -43.14 -38.74 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.631 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . . . -87.25 -41.36 13.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.042 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 13' ' ' LEU . 5.5 tt0 -55.63 -42.02 74.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.027 0.917 . . . . 0.0 109.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . . . -88.41 -19.69 26.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . 29.3 tpt180 -44.34 -30.0 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.191 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -94.05 35.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.446 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 80.8 p -169.7 -163.55 0.39 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.046 0.451 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 28.2 m -96.9 165.89 11.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.948 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -59.81 -15.08 18.03 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.585 0.231 . . . . 0.0 110.485 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -40.48 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.784 0.326 . . . . 0.0 110.574 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.6 -42.08 64.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.979 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -66.69 -44.96 80.32 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.985 0.422 . . . . 0.0 110.083 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.979 ' H ' HD12 ' A' ' 25' ' ' LEU . 37.9 tt0 -54.33 -25.91 26.71 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.0 mm-40 -82.8 -52.72 6.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.969 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.6 mtt -88.93 -46.36 8.96 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.234 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 14.2 tp -52.6 -42.02 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.371 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 21.8 tp10 -64.06 -31.33 72.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.518 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 34' ' ' VAL . 23.6 mmtp -85.19 -36.49 20.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.067 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.9 tp -66.63 -21.57 66.12 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.843 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.981 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -85.94 -44.02 12.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.312 179.109 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 31' ' ' LYS . 32.9 m -68.6 -34.99 68.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.184 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.799 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 7.3 p -55.92 -50.29 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 8.1 p -80.62 -19.47 11.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.117 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 52.1 t30 -54.61 -41.77 70.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 94.8 mt-10 -73.45 -42.41 62.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.197 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.005 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.75 -48.28 66.87 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.475 0.655 . . . . 0.0 110.889 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.791 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.3 mmm180 -48.19 -44.45 32.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.714 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 12.4 pt-20 -84.4 -35.26 23.24 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.6 tp10 -77.27 -39.6 47.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 111.59 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.997 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 24.0 mm-40 -59.61 -47.36 85.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -34.82 68.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.84 -41.48 82.9 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.464 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.925 179.68 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.599 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 96.0 mt-10 . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -71.52 -27.38 63.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.816 0.817 . . . . 0.0 110.401 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.564 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.9 mm? -84.01 -41.98 16.68 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.417 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -85.06 -23.33 28.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.532 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.713 HG23 ' H ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -54.61 -60.63 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.53 -10.86 55.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.133 178.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 61.02 33.99 19.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.672 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 3.3 m120 61.65 127.24 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.573 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.783 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -58.25 -28.18 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.28 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.0 ptt180 -59.74 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.992 0.425 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 95.3 m -78.01 -38.24 45.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.072 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.641 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.2 tt -62.54 -52.83 61.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.307 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.948 ' HG3' HD21 ' A' ' 22' ' ' LEU . 43.3 ttt-85 -47.5 -31.51 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.352 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.75 -50.16 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 12.2 pt20 -62.42 -33.97 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.492 0.663 . . . . 0.0 109.837 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.73 -23.92 27.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.216 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.9 tpt180 -45.09 -31.57 1.43 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.013 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.2 29.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.419 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.2 p -165.12 -156.02 0.28 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.935 0.398 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.533 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.3 m -99.5 164.89 11.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.787 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.025 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.58 -14.09 11.94 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.542 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 16.7 pt-20 -40.04 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.468 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.1 t -52.29 -41.09 62.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.117 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.025 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -69.33 -45.14 70.19 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.151 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.935 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.8 tt0 -55.11 -25.12 29.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 24.3 tt0 -83.37 -54.03 5.29 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.193 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.06 -46.27 8.98 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 7' ' ' LEU . 43.9 tp -55.65 -39.23 70.62 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.561 ' O ' HG13 ' B' ' 34' ' ' VAL . 42.6 tt0 -65.17 -29.42 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.6 mmtp -87.43 -32.22 19.63 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.601 0.715 . . . . 0.0 109.737 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.981 HD11 ' HA ' ' A' ' 33' ' ' GLU . 40.9 tp -67.32 -23.63 65.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.764 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.122 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -85.64 -41.03 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.787 178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' B' ' 31' ' ' LYS . 24.7 m -68.36 -35.16 69.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.13 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.772 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.3 p -56.83 -49.63 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.3 p -81.13 -18.95 11.61 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.054 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 50.1 t30 -56.72 -42.9 80.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.585 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 57.0 mm-40 -69.89 -43.23 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.849 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.997 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.07 -50.99 51.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.494 0.664 . . . . 0.0 110.453 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' B' ' 36' ' ' VAL . 5.4 mmm180 -44.91 -43.39 8.88 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.311 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -79.96 -41.31 26.23 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 44.1 tp10 -77.88 -42.01 34.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.201 0.524 . . . . 0.0 111.661 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.005 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 13.0 mm-40 -54.84 -48.68 72.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -57.46 -35.45 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.06 -40.56 87.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.233 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.576 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.625 ' HB3' ' NH1' ' B' ' 40' ' ' ARG . 39.4 tt0 . . . . . 0 C--O 1.224 -0.286 0 CA-C-O 120.638 0.256 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' B' ' 40' ' ' ARG . . . -76.04 -25.98 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.853 0.835 . . . . 0.0 110.375 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -84.98 -40.35 17.02 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.372 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.31 -21.66 30.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.697 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.929 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.56 -49.25 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-O 121.88 0.848 . . . . 0.0 109.118 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.76 -10.88 22.47 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.946 179.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.9 31.43 11.48 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.757 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.579 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 60.04 126.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.69 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -56.03 -27.1 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.628 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 35.3 ptt180 -62.15 -53.37 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.3 m -70.25 -33.06 71.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.326 0.584 . . . . 0.0 110.218 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.853 HD21 HD22 ' B' ' 25' ' ' LEU . 6.8 tp -63.19 -56.4 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.809 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.2 tpt180 -45.05 -28.64 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.36 -49.81 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.482 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.788 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.4 pt20 -65.1 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 109.817 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.49 -19.01 30.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -43.25 -30.61 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.732 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -101.56 41.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.661 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' ALA . 46.7 t -172.64 171.7 4.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -73.21 175.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.494 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -72.72 -13.93 61.45 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.439 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 39.2 tt0 -39.83 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.0 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.71 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -51.53 -39.98 58.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.101 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.953 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -68.28 -44.0 76.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.026 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.953 ' H ' HD12 ' A' ' 25' ' ' LEU . 68.7 tt0 -54.2 -25.33 22.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 45.0 mm-40 -82.87 -54.54 5.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.782 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.538 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 21.4 mmt -89.3 -46.32 8.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.235 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.897 HD12 HD23 ' B' ' 32' ' ' LEU . 25.2 tp -56.16 -39.71 72.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.09 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' VAL . 40.9 tt0 -65.22 -29.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.443 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 62.9 mmtt -87.97 -37.77 16.11 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.748 0.785 . . . . 0.0 110.275 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.98 HD23 HD12 ' B' ' 29' ' ' LEU . 18.0 tp -61.35 -24.47 66.48 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.485 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.92 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -84.64 -29.02 26.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 30' ' ' GLU . 10.6 t -68.25 -44.17 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.789 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 17.4 m -51.61 -42.44 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.668 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -86.98 -20.46 7.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.407 177.144 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 11.9 t-20 -57.46 -41.02 79.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.647 ' HG3' ' HD2' ' A' ' 39' ' ' ARG . 10.7 pt-20 -82.87 -42.18 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.316 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.789 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.02 -56.36 7.16 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.627 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 16.6 mmm180 -45.66 -38.72 7.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.559 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.31 -42.9 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 67.5 mm-40 -84.46 -43.84 14.23 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.998 0.428 . . . . 0.0 112.014 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.093 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 5.1 tp10 -59.97 -48.7 80.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.16 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -53.73 -34.27 58.36 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.43 -43.54 76.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.364 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.12 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.7 tt0 . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 120.635 0.255 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.668 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -74.64 -22.86 58.69 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.969 0.89 . . . . 0.0 110.295 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -84.29 -44.98 13.31 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.154 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -81.11 -25.83 36.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.314 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.883 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.3 -61.4 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.85 -9.96 58.37 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.041 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 34.84 20.46 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.324 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.551 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 60.82 128.62 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.516 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.739 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -57.42 -27.86 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.711 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -56.84 -51.15 70.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.504 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.0 m -82.64 -37.42 24.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.519 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.845 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.1 tt -62.76 -56.79 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.776 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 30.7 ttt85 -44.0 -34.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.322 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.98 -48.55 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.331 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.845 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.2 pt20 -61.83 -36.8 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.739 0.78 . . . . 0.0 109.787 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.45 -22.12 26.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.9 tpt180 -46.19 -31.03 2.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.928 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.44 28.83 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.422 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -165.25 -157.76 0.35 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.285 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.4 p -92.94 166.65 12.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.381 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.92 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -63.05 -13.73 39.39 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.001 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.481 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.8 tp10 -38.96 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.622 0.248 . . . . 0.0 110.842 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.482 HG22 HD11 ' B' ' 13' ' ' LEU . 51.7 m -51.56 -43.4 62.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.947 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.3 pp -68.41 -44.46 74.97 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.239 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.947 ' N ' HD12 ' B' ' 25' ' ' LEU . 34.0 tt0 -56.44 -24.78 47.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.3 tp10 -83.49 -57.4 3.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.942 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.8 mtt -89.31 -45.17 9.7 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.98 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 tp -58.97 -29.42 67.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.683 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.565 ' O ' HG13 ' B' ' 34' ' ' VAL . 34.2 tt0 -71.35 -31.33 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 110.427 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.697 ' HA ' HG22 ' B' ' 34' ' ' VAL . 57.3 mmtt -86.34 -27.59 24.2 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.609 0.719 . . . . 0.0 109.595 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.934 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 18.9 tp -68.07 -26.05 65.65 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.659 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.979 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -84.19 -35.49 23.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.51 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.1 m -71.54 -37.85 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.236 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 36' ' ' VAL . 16.4 m -55.22 -48.01 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' B' ' 40' ' ' ARG . 5.9 p -82.45 -19.59 10.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.644 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 35.4 t30 -57.77 -37.97 74.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -74.54 -40.39 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.454 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.093 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -75.27 -48.03 25.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.281 0.562 . . . . 0.0 110.77 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.84 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.3 mmm-85 -46.01 -41.06 11.42 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.014 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -86.71 -45.5 10.9 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.9 mm-40 -87.78 -46.74 9.19 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.718 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 28.6 tp10 -62.57 -47.03 85.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -59.03 -32.62 69.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.71 -41.49 92.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.258 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.451 179.423 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.762 0.315 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.83 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.67 -20.82 58.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.895 0.855 . . . . 0.0 110.036 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.589 ' HB3' HD21 ' A' ' 9' ' ' ASN . 0.9 OUTLIER -86.47 -45.05 11.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.222 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -80.54 -24.42 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.363 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.709 HG23 ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -53.33 -55.73 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.85 0.833 . . . . 0.0 109.283 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.932 HD13 HD21 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -7.44 48.2 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.577 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.448 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 m120 61.78 33.09 17.99 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.636 ' HB3' HH11 ' A' ' 11' ' ' ARG . 2.9 m120 63.84 129.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.135 0.493 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' B' ' 30' ' ' GLU . 16.4 pt -55.81 -26.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.211 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.636 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.2 ptp85 -53.88 -54.16 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.452 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 13.1 t -88.41 -31.04 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.658 ' HA ' HE21 ' A' ' 16' ' ' GLN . 1.7 tm? -62.2 -53.85 49.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.672 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.903 ' HA ' HD11 ' B' ' 22' ' ' LEU . 22.4 ptt85 -53.24 -31.58 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.965 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.21 -50.88 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.4 pt20 -61.46 -33.64 74.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 109.769 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.21 -22.83 26.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.159 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.9 tpt85 -48.72 -31.81 7.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.721 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 16.4 pt-20 -58.67 -37.88 76.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -96.96 -137.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.843 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.9 m -123.81 -176.81 3.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.98 -16.75 33.01 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.061 0.458 . . . . 0.0 110.281 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.9 tt0 -43.53 -26.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.348 0.594 . . . . 0.0 110.109 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.68 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -57.96 -40.57 80.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.759 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.31 -45.25 66.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.492 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.949 ' H ' HD12 ' A' ' 25' ' ' LEU . 15.7 pt-20 -55.81 -22.93 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.2 tp10 -83.4 -55.48 4.29 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.638 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.26 -47.58 7.96 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.869 HD12 HD23 ' B' ' 32' ' ' LEU . 50.8 tp -55.08 -34.2 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.701 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.055 ' HB2' HD13 ' B' ' 10' ' ' ILE . 16.1 tp10 -66.63 -36.41 82.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 34' ' ' VAL . 57.0 mmtt -74.91 -25.45 58.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' B' ' 33' ' ' GLU . 18.2 tp -72.65 -29.44 63.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.892 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.052 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -84.45 -32.74 23.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.467 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.8 m -72.65 -40.83 62.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.293 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.766 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 11.5 m -52.95 -49.28 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.871 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.0 p -84.59 -18.44 9.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.802 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 21.8 t30 -56.82 -39.57 74.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.06 -40.5 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.796 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.928 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.94 -53.36 21.27 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.635 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.5 mmm180 -44.96 -42.4 8.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.43 -42.11 17.33 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 tp10 -84.23 -45.06 13.29 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.788 ' HG2' ' HG2' ' B' ' 43' ' ' GLU . 1.6 tm-20 -55.27 -49.92 70.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.265 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.8 m -57.68 -35.84 71.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -63.82 -41.04 97.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.062 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.691 179.515 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.642 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 54.4 mt-10 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.688 0.28 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.708 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -75.07 -32.49 61.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.513 1.149 . . . . 0.0 109.559 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.583 ' HB3' HD21 ' B' ' 9' ' ' ASN . 1.2 mt -86.01 -47.76 9.29 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 112.984 -1.916 . . . . 0.0 110.328 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -71.91 -29.17 64.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.058 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.891 HD12 ' HB2' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.35 -49.11 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.287 1.041 . . . . 0.0 108.707 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.1 -16.2 28.21 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.926 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER 60.59 30.04 19.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.548 -178.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.583 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.4 m120 63.11 125.81 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.642 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.055 HD13 ' HB2' ' A' ' 30' ' ' GLU . 20.7 pt -51.57 -27.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.45 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.5 ptm180 -59.08 -51.21 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -80.74 -37.02 31.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 110.723 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.6 tm? -62.24 -49.81 74.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.45 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.751 ' HA ' HD11 ' A' ' 22' ' ' LEU . 25.4 ttt85 -52.09 -34.49 44.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.716 0.294 . . . . 0.0 111.565 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.88 -50.1 8.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.593 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 26.7 pt20 -63.29 -33.16 74.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 109.901 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' B' ' 24' ' ' THR . . . -85.79 -22.74 27.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.654 ' NH1' HG21 ' A' ' 21' ' ' THR . 26.6 tpt180 -48.95 -29.68 5.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.331 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 -138.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.875 HG22 ' H ' ' B' ' 22' ' ' LEU . 2.1 m -118.76 -161.88 0.87 Allowed 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.109 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -69.95 -16.04 63.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.202 0.525 . . . . 0.0 109.764 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.764 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 89.1 tt0 -43.45 -25.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.446 0.641 . . . . 0.0 110.131 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.634 HG21 ' HB1' ' B' ' 17' ' ' ALA . 4.4 t -57.66 -40.12 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.507 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.109 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -69.92 -44.57 69.38 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.277 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 11.2 pt-20 -54.73 -22.57 14.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 79.7 tt0 -84.38 -54.96 4.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.29 -45.22 10.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.814 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.932 HD21 HD13 ' A' ' 7' ' ' LEU . 12.4 tp -60.32 -18.75 51.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.327 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.971 ' HB2' HD13 ' A' ' 10' ' ' ILE . 5.1 tp10 -82.37 -33.19 28.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.495 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.706 ' HA ' HG22 ' B' ' 34' ' ' VAL . 22.4 mmtp -86.13 -32.05 21.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.865 0.84 . . . . 0.0 109.479 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.052 HD11 ' HA ' ' A' ' 33' ' ' GLU . 10.3 tp -71.52 -22.87 61.72 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.296 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.884 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.38 -39.03 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.258 178.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.761 HG13 ' O ' ' B' ' 30' ' ' GLU . 32.3 m -65.51 -37.38 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.175 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.787 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 19.4 m -53.14 -45.45 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.83 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -81.52 -20.87 10.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.6 177.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 32.8 t30 -58.23 -35.16 71.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.23 -42.47 17.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.249 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.787 ' HD2' ' O ' ' B' ' 35' ' ' VAL . 0.0 OUTLIER -73.17 -55.11 6.91 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.238 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.696 HH21 HG12 ' A' ' 35' ' ' VAL . 22.4 mmt180 -43.95 -38.46 3.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -86.14 -42.86 13.52 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 17.7 tp10 -85.15 -46.5 11.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.928 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -52.99 -50.69 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.1 m -58.09 -35.91 72.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.92 -41.37 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.386 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.587 179.495 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.507 ' HB3' ' HG2' ' B' ' 40' ' ' ARG . 43.6 tp10 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.898 0.38 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.7 -20.82 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.974 0.892 . . . . 0.0 110.004 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.67 -44.36 12.64 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.154 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.686 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -82.42 -23.89 34.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.22 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.884 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -52.91 -56.48 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 CA-C-O 121.752 0.787 . . . . 0.0 109.29 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.804 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -7.65 46.62 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.595 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' HB ' ' A' ' 12' ' ' THR . 74.7 m-80 60.1 31.37 20.55 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.027 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.7 m120 62.33 130.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.219 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.779 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.49 -26.09 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.716 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.3 ptt180 -61.67 -50.28 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.462 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.3 m -74.63 -40.45 61.5 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -62.98 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.829 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.9 tpt180 -46.27 -32.03 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.213 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.54 -49.9 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.716 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.23 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 109.976 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.57 -19.33 29.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.617 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -41.87 -30.22 0.25 Allowed 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.064 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -109.26 46.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.578 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' ALA . 43.8 t -167.81 173.62 8.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 111.402 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.6 m -78.42 160.15 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.42 -15.25 35.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.535 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -40.54 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.841 0.353 . . . . 0.0 110.465 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.57 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.0 -43.16 63.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.785 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.81 -44.51 81.02 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.931 ' N ' HD12 ' A' ' 25' ' ' LEU . 32.1 tt0 -53.19 -26.97 19.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.3 tt0 -83.23 -50.4 8.45 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.012 178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -88.4 -48.99 7.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 111.834 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.898 HD12 HD23 ' B' ' 32' ' ' LEU . 40.9 tp -54.0 -39.79 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.017 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.679 ' O ' HG13 ' A' ' 34' ' ' VAL . 37.4 tt0 -62.88 -32.87 74.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.942 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.669 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 mmtp -86.48 -29.65 22.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.678 0.751 . . . . 0.0 109.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' B' ' 33' ' ' GLU . 13.5 tp -67.26 -25.75 66.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.812 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.969 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.5 pp20? -86.02 -39.1 17.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.979 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 30' ' ' GLU . 17.9 m -65.57 -36.42 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG21 HG21 ' B' ' 36' ' ' VAL . 14.3 m -55.95 -48.8 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -79.09 -20.34 12.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.523 178.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 46.6 t30 -55.44 -39.92 70.9 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -79.11 -42.64 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.444 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.871 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.66 -53.58 11.39 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.843 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.676 HH11 ' HA ' ' A' ' 40' ' ' ARG . 4.2 mmm180 -45.27 -39.44 6.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.12 -41.49 15.66 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.3 mm-40 -85.85 -46.05 10.99 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -54.68 -49.62 70.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -57.6 -36.1 71.31 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.57 -43.64 98.32 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.317 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.57 179.523 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.495 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 . . . . . 0 C--O 1.226 -0.148 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.581 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -77.22 -22.88 51.61 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.883 0.849 . . . . 0.0 110.287 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.616 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.6 mm? -84.95 -39.49 18.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.491 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.0 tptp -84.86 -25.58 27.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -55.09 -48.23 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.579 0.704 . . . . 0.0 109.762 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.871 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -99.93 -11.85 20.3 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.258 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.491 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 64.4 m-80 66.85 29.81 8.15 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.588 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.8 m120 61.05 130.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.415 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.725 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -54.7 -26.35 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.696 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.519 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 34.1 ptt85 -62.4 -51.86 65.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.5 m -70.15 -36.8 74.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.807 ' HA ' HE21 ' B' ' 16' ' ' GLN . 9.2 tp -64.91 -55.02 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.93 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' A' ' 22' ' ' LEU . 33.9 tpt85 -44.93 -27.99 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.88 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.334 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.807 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.8 pt20 -63.88 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 0.0 109.86 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -86.25 -19.25 30.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.4 ttt180 -43.0 -27.15 0.17 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.341 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' B' ' 17' ' ' ALA . 11.8 pt-20 -112.62 44.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.406 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.2 p -166.55 -170.44 1.62 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.043 0.449 . . . . 0.0 111.717 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.472 HG22 ' N ' ' B' ' 22' ' ' LEU . 45.7 m -92.02 159.4 15.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.175 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -62.28 -13.78 31.96 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.609 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.561 ' N ' HD23 ' B' ' 22' ' ' LEU . 39.3 tt0 -39.61 -25.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.716 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.702 HG21 HD11 ' B' ' 13' ' ' LEU . 4.9 t -53.05 -41.65 65.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.945 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -66.76 -45.09 79.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.923 0.392 . . . . 0.0 110.285 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.929 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.7 tt0 -56.47 -24.59 46.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.72 -57.37 3.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.937 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.666 ' SD ' HD22 ' B' ' 13' ' ' LEU . 22.1 ptp -89.89 -44.84 9.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.804 HD21 HD13 ' A' ' 7' ' ' LEU . 14.9 tp -58.8 -30.47 67.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.934 0.397 . . . . 0.0 110.192 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.764 ' O ' HG13 ' B' ' 34' ' ' VAL . 40.5 tt0 -69.75 -33.41 72.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.67 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.01 -28.07 24.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.609 0.719 . . . . 0.0 109.712 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.969 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.2 tp -67.85 -25.76 65.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.088 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -86.08 -34.39 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.471 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.764 HG13 ' O ' ' B' ' 30' ' ' GLU . 14.1 m -69.21 -36.99 75.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.63 HG21 HG21 ' A' ' 36' ' ' VAL . 9.9 m -55.85 -46.05 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -80.19 -27.58 11.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.474 -0.491 . . . . 0.0 109.994 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.566 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.8 t-20 -46.66 -41.24 14.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.26 -46.5 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.122 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -70.89 -59.18 2.94 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.299 0.571 . . . . 0.0 111.57 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 36' ' ' VAL . 28.9 tpt85 -44.46 -38.49 4.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.051 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.86 -45.95 10.38 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 88.9 tt0 -79.43 -39.43 32.36 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.871 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.5 tm-20 -55.12 -48.31 73.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.076 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -57.13 -36.62 70.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.57 -41.54 96.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.306 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.536 179.669 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 5.4 tp10 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.708 0.289 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.54 -24.72 33.9 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.653 0.74 . . . . 0.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.804 HD11 HD22 ' B' ' 37' ' ' ASN . 1.9 mm? -84.27 -34.7 23.75 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.645 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 18.8 tptm -85.03 -29.31 25.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.42 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.97 HG21 HD13 ' A' ' 32' ' ' LEU . 4.4 tt -55.03 -45.8 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.349 0.595 . . . . 0.0 110.272 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.052 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -104.98 -8.56 18.49 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.736 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 72.9 m-80 63.54 35.8 11.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.816 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.679 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 61.37 127.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.198 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.828 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -59.75 -53.67 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.551 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -68.12 -33.72 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.873 HD21 HD22 ' B' ' 25' ' ' LEU . 5.7 tp -62.1 -59.61 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.492 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.767 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.1 mtp180 -43.46 -29.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.282 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 -49.86 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.993 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.64 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -67.42 -32.58 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.406 0.622 . . . . 0.0 110.259 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.33 -20.02 28.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.452 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 39.6 ttt85 -43.88 -28.01 0.4 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -108.38 40.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.599 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.9 m -164.29 -168.21 1.49 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.137 0.494 . . . . 0.0 111.57 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 22' ' ' LEU . 71.1 m -92.61 158.75 15.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.533 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.029 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -58.23 -14.0 6.26 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -40.59 -25.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 110.63 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.644 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -52.13 -38.57 57.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.029 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.97 -48.88 50.89 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 1.019 ' H ' HD12 ' A' ' 25' ' ' LEU . 12.6 pt-20 -55.8 -20.35 14.79 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.518 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.2 tt0 -82.99 -55.62 4.27 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.767 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 mmt -88.8 -45.37 9.81 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.636 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.985 HD12 HD23 ' B' ' 32' ' ' LEU . 19.6 tp -54.04 -38.93 65.73 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.045 ' HB2' HD13 ' B' ' 10' ' ' ILE . 33.4 tt0 -64.17 -33.64 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.36 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HA ' HG22 ' A' ' 34' ' ' VAL . 21.2 mmtp -86.08 -30.37 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.815 0.817 . . . . 0.0 109.625 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.117 HD11 ' HA ' ' B' ' 33' ' ' GLU . 24.3 tp -69.01 -24.51 64.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.934 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.967 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.5 pt-20 -86.19 -41.61 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.547 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 31' ' ' LYS . 21.6 m -63.86 -35.51 73.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.189 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.814 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 9.5 m -55.98 -50.39 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.15 -20.33 15.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.372 178.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' OD1' HD11 ' B' ' 4' ' ' LEU . 49.8 t30 -55.09 -40.95 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.92 -46.83 14.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.353 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -63.61 -51.81 63.63 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 22.1 mmm180 -50.94 -46.4 60.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.83 -36.82 73.07 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -82.32 -31.98 29.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.875 0.369 . . . . 0.0 111.805 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.1 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.9 mm-40 -67.64 -48.37 66.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -57.24 -31.98 66.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -71.63 -45.67 61.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.769 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 94.4 mt-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 120.574 0.226 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.758 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -70.64 -25.06 62.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.88 0.848 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -84.14 -45.9 12.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.529 -179.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.628 ' HD3' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -83.21 -21.47 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.744 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.928 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.63 -61.54 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.906 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.33 -10.07 59.63 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' B' ' 5' ' ' LYS . 50.7 t30 60.25 36.9 20.74 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.685 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.579 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.7 m120 61.27 128.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.443 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.045 HD13 ' HB2' ' A' ' 30' ' ' GLU . 22.6 pt -59.05 -32.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.738 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.579 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.1 ptm180 -52.22 -50.04 62.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.5 m -79.99 -35.51 37.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.447 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.869 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.3 tt -63.85 -58.89 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.088 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.998 ' HA ' HD11 ' A' ' 22' ' ' LEU . 12.1 ptm180 -46.9 -29.71 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.59 0.234 . . . . 0.0 110.973 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.51 -50.21 10.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.869 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.6 pt20 -63.41 -35.61 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.787 0.803 . . . . 0.0 109.738 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.48 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -86.05 -20.87 28.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 55.4 ttt-85 -44.23 -30.74 0.84 Allowed 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.18 34.3 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.365 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 17' ' ' ALA . 54.8 m -162.48 -162.65 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.546 HG22 ' N ' ' B' ' 22' ' ' LEU . 31.3 m -96.34 165.27 12.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.878 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -56.69 -14.58 3.41 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.628 0.251 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -39.49 -29.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.834 0.349 . . . . 0.0 110.57 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -52.46 -43.71 65.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.315 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.921 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.3 pp -68.7 -44.83 73.12 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 38.9 tt0 -55.25 -23.04 20.64 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 28.0 tt0 -82.03 -52.41 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.5 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.703 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 23.8 mmt -89.47 -47.4 8.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.872 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 1.052 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.4 tp -56.37 -41.64 76.55 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.07 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' A' ' 10' ' ' ILE . 34.7 tt0 -63.14 -32.95 74.46 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.487 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.48 -31.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.665 0.745 . . . . 0.0 109.466 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.985 HD23 HD12 ' A' ' 29' ' ' LEU . 11.0 tp -68.31 -25.53 65.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.008 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.117 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.2 pt-20 -86.0 -46.34 10.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.165 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 31' ' ' LYS . 28.0 m -62.49 -33.73 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.804 HG22 HG11 ' A' ' 36' ' ' VAL . 7.7 p -58.75 -46.05 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.73 -20.45 12.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 121.184 0.516 . . . . 0.0 109.716 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.804 HD22 HD11 ' A' ' 4' ' ' LEU . 36.8 t-20 -55.21 -38.61 68.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.71 -40.77 24.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.248 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.1 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -71.92 -54.18 10.82 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.621 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 24.4 mmm180 -45.05 -40.57 6.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.27 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 24.8 pt-20 -85.67 -39.79 16.87 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 39.5 tt0 -84.82 -47.11 10.7 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.835 ' HG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -54.51 -49.73 69.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -59.03 -35.71 73.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.31 -41.45 98.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.295 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.579 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.612 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 54.9 mt-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 120.46 0.171 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.852 0.834 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -84.14 -44.36 14.08 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -80.49 -25.52 38.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.24 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 32' ' ' LEU . 3.9 tt -56.02 -46.2 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.445 0.64 . . . . 0.0 109.96 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.1 OUTLIER -105.29 -15.12 15.13 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.919 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 64.87 33.61 9.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.7 m120 62.29 128.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.65 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.23 -27.29 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.369 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 36.6 ptt85 -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.2 m -80.9 -39.82 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 110.96 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.682 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.4 tm? -61.91 -50.24 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.635 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 1.06 ' HG3' HD21 ' B' ' 22' ' ' LEU . 45.7 ttt-85 -49.01 -37.6 20.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.66 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . . . -79.16 -49.61 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -62.88 -25.04 68.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 0.0 109.884 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.29 -25.2 27.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.441 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 22.8 mmm180 -42.54 -32.96 0.61 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.547 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -80.11 24.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.607 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' ALA . 49.2 m -164.82 -155.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.006 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -102.72 -172.61 2.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.012 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -72.79 -14.88 61.62 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.7 tt0 -40.25 -27.97 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' HD21 ' A' ' 13' ' ' LEU . 5.0 t -53.02 -40.4 63.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.494 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.923 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -66.17 -43.77 85.96 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HA ' HG21 ' B' ' 10' ' ' ILE . 36.2 tt0 -56.12 -24.03 38.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 44.0 mm-40 -83.1 -54.58 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.914 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.1 mmt -89.6 -45.31 9.46 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.443 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 HD23 ' B' ' 32' ' ' LEU . 36.9 tp -58.02 -44.24 87.21 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 37.1 tt0 -59.2 -34.6 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.324 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.705 ' HA ' HG22 ' A' ' 34' ' ' VAL . 56.3 mmtt -86.22 -27.87 24.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.7 . . . . 0.0 109.728 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.9 tp -67.09 -25.81 66.4 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -86.15 -39.0 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.874 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -67.3 -35.24 73.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.4 p -56.27 -38.04 53.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.724 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -86.06 -32.39 6.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.594 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 50.1 t30 -43.27 -40.8 3.64 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.19 -45.02 12.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.114 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.065 ' HD3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.15 -58.7 3.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.446 0.641 . . . . 0.0 111.451 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -42.27 -39.21 2.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.865 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -83.93 -46.47 12.06 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 tp10 -78.5 -40.58 34.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.169 0.509 . . . . 0.0 111.818 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.065 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 10.9 tp10 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.57 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -57.88 -37.38 73.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.61 -39.9 95.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.976 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.609 179.355 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.681 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -76.55 -27.43 55.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.234 1.016 . . . . 0.0 110.375 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -77.31 -45.16 27.11 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.261 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.639 ' HD2' ' C ' ' B' ' 5' ' ' LYS . 0.7 OUTLIER -78.86 -34.69 44.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.888 HG21 HD13 ' B' ' 32' ' ' LEU . 3.6 tt -53.65 -41.13 45.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-O 122.293 1.044 . . . . 0.0 108.824 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.0 tt -87.94 -28.22 21.63 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.641 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 61.64 16.46 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.586 ' CA ' HD22 ' B' ' 7' ' ' LEU . 3.0 m120 64.02 130.41 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 113.618 -1.628 . . . . 0.0 112.08 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.947 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.01 -29.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.63 -179.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.2 ptm85 -55.52 -46.31 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -85.44 -37.67 19.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.295 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.672 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.0 tt -62.68 -55.45 26.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.462 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.809 ' HG3' HD21 ' A' ' 22' ' ' LEU . 38.1 ttt85 -47.16 -30.27 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.403 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.86 -50.5 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.19 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.672 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.4 pt20 -63.08 -33.74 76.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.47 0.652 . . . . 0.0 109.924 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -85.93 -23.6 26.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.358 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -44.21 -31.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.015 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -84.62 29.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.384 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.412 ' N ' ' O ' ' B' ' 17' ' ' ALA . 19.3 t -164.8 -156.2 0.3 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.777 0.322 . . . . 0.0 111.26 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.54 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.9 m -101.31 166.07 10.94 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.06 HD21 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.24 -14.39 7.08 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.45 ' N ' HD23 ' B' ' 22' ' ' LEU . 24.6 pt-20 -40.14 -26.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.7 t -52.57 -42.8 64.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.972 HD21 HD12 ' B' ' 22' ' ' LEU . 1.2 pp -68.66 -42.98 77.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.94 ' N ' HD12 ' B' ' 25' ' ' LEU . 65.6 tt0 -53.97 -26.36 25.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.5 tp10 -83.21 -52.28 6.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.081 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.3 -46.32 8.84 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.708 HD12 HD23 ' A' ' 32' ' ' LEU . 21.6 tp -56.63 -37.42 70.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 84.3 tt0 -68.86 -32.05 71.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.776 ' HA ' HG22 ' B' ' 34' ' ' VAL . 68.0 mmtt -87.55 -32.0 19.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.406 0.622 . . . . 0.0 110.537 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 23.5 tp -68.71 -24.43 64.48 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.43 -38.55 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.01 178.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.2 m -71.95 -38.24 63.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.695 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 7.3 p -56.21 -49.52 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' B' ' 40' ' ' ARG . 12.4 p -79.13 -19.85 12.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.133 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 25.8 t30 -56.24 -42.23 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -74.93 -44.12 50.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.793 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.763 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.79 -27.59 66.02 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.567 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.846 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.2 mmm180 -67.8 -52.94 31.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.247 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.07 -39.97 94.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.086 0.469 . . . . 0.0 110.102 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -78.56 -20.76 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.498 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 5.1 tm-20 -63.83 -49.46 72.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.93 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -69.05 -34.14 74.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.491 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.202 -179.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.521 ' HG2' ' NE ' ' B' ' 40' ' ' ARG . 12.2 pt-20 . . . . . 0 C--O 1.224 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.594 ' C ' HG22 ' A' ' 6' ' ' ILE . . . -72.93 -24.35 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.905 0.859 . . . . 0.0 110.138 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -83.2 -43.11 16.5 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.25 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -84.07 -24.09 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.42 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.89 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.4 -53.0 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.799 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.53 -11.51 37.17 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.631 178.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.32 35.77 17.92 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.612 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.563 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.9 m120 59.89 127.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.644 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.815 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.21 -29.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.417 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.7 ptm180 -60.56 -49.41 77.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -75.35 -38.71 59.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.682 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -62.73 -53.75 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.669 ' HG3' HD21 ' B' ' 22' ' ' LEU . 38.4 ttt85 -46.49 -32.06 3.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.34 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.54 -49.94 8.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.322 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.682 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.3 pt20 -64.57 -32.15 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 110.019 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.89 -24.25 26.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.233 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -42.66 -31.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -82.9 28.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.423 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' ALA . 22.4 t -167.55 -157.53 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.531 0.205 . . . . 0.0 110.959 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 p -98.38 -177.7 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.361 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.0 -14.56 63.11 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.019 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.5 pt-20 -40.32 -26.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.554 HG21 HD12 ' B' ' 22' ' ' LEU . 4.4 t -52.27 -43.28 64.31 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.8 -45.62 77.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 1.022 ' HG3' HD12 ' B' ' 10' ' ' ILE . 17.9 tt0 -52.0 -26.94 11.83 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 83.6 tt0 -83.31 -53.87 5.42 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.4 mtt -88.57 -44.33 10.73 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HG ' HD22 ' B' ' 7' ' ' LEU . 17.5 tp -54.26 -36.32 63.46 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.11 ' HB2' HD13 ' B' ' 10' ' ' ILE . 85.7 tt0 -68.5 -31.57 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.594 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.1 mmtp -86.2 -36.67 19.33 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.667 0.746 . . . . 0.0 109.965 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.06 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.0 tp -67.91 -22.07 65.1 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.821 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.012 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.0 pt-20 -86.18 -47.04 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.834 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' HA ' ' A' ' 31' ' ' LYS . 34.9 m -61.31 -34.81 62.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.159 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.738 HG22 HG21 ' B' ' 36' ' ' VAL . 13.4 p -56.52 -42.71 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.917 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.3 -36.97 30.85 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.469 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 35.1 t30 -42.68 -38.48 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -74.98 -41.66 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.985 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.945 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.28 -51.97 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.248 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 3.5 mmp_? -47.44 -37.54 11.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -86.72 -45.87 10.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -87.51 -44.63 11.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HG3' ' NH1' ' B' ' 39' ' ' ARG . 5.0 tp10 -61.34 -46.64 89.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.807 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -56.96 -34.58 68.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -64.4 -44.0 92.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.072 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.365 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.616 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 39.3 tt0 . . . . . 0 C--O 1.225 -0.212 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.917 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -75.95 -23.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.777 0.799 . . . . 0.0 110.869 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.542 ' HB3' HD21 ' B' ' 9' ' ' ASN . 1.3 mp -85.73 -44.55 12.44 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.014 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.648 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.1 tmtt? -80.38 -24.46 39.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.451 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.729 HG23 ' H ' ' B' ' 7' ' ' LEU . 4.2 tt -53.2 -56.44 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-O 121.744 0.783 . . . . 0.0 109.397 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.926 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -6.02 50.48 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.52 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.426 HD21 HG21 ' B' ' 12' ' ' THR . 51.0 t30 59.11 35.96 23.95 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.547 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.542 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.7 m120 61.85 130.34 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.5 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.11 HD13 ' HB2' ' A' ' 30' ' ' GLU . 18.5 pt -55.9 -30.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.697 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -56.8 -51.04 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.94 0.4 . . . . 0.0 111.34 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.6 m -78.52 -37.97 41.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.272 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.675 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -62.97 -54.96 30.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.713 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.935 ' HA ' HD11 ' A' ' 22' ' ' LEU . 6.9 ptm180 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.07 -51.78 7.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.229 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.675 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.3 pt20 -63.16 -31.86 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 109.928 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.77 -24.43 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.218 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.6 tpm_? -48.47 -34.13 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.234 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -61.43 -36.38 80.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -104.74 -143.64 0.37 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.762 HG22 ' H ' ' B' ' 22' ' ' LEU . 7.4 m -109.84 178.26 4.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.863 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.48 -14.89 32.65 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.745 0.307 . . . . 0.0 110.219 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.695 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 17.5 tp10 -39.76 -28.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.53 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.467 HG22 HD11 ' B' ' 13' ' ' LEU . 75.1 m -51.45 -43.18 62.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.616 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.906 HD12 ' H ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -65.06 -43.71 91.37 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.078 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.906 ' H ' HD12 ' B' ' 25' ' ' LEU . 78.3 tt0 -56.76 -24.12 47.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.695 ' HG3' ' O ' ' B' ' 23' ' ' GLU . 25.7 mt-10 -83.38 -53.96 5.33 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' B' ' 28' ' ' MET . 13.0 mmt -89.38 -45.19 9.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 32' ' ' LEU . 27.9 tp -58.74 -42.03 87.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.029 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.429 ' O ' HG13 ' B' ' 34' ' ' VAL . 84.8 tt0 -61.82 -31.57 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.07 0.462 . . . . 0.0 111.017 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.5 mmtp -87.49 -28.79 21.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.51 0.672 . . . . 0.0 109.628 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.012 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 39.5 tp -67.07 -24.53 65.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.922 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.06 ' HA ' HD11 ' A' ' 32' ' ' LEU . 4.3 pt-20 -85.12 -40.99 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.792 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' B' ' 31' ' ' LYS . 21.6 m -68.83 -35.25 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.327 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.689 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.5 p -59.7 -50.44 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.911 ' HB ' HG22 ' A' ' 36' ' ' VAL . 14.8 p -78.72 -19.61 13.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.957 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 41.8 t30 -58.38 -51.81 68.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 109.697 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.12 -42.39 94.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.147 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.713 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.83 -29.22 63.06 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.579 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.899 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.2 mmm180 -67.04 -41.01 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.188 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -79.36 -30.69 42.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.814 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 51.3 mt-10 -87.21 -39.43 15.47 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.945 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 23.8 mm-40 -66.29 -47.76 72.57 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.003 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.4 m -53.95 -30.46 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -74.59 -45.39 45.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.456 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.091 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.746 179.772 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.669 ' HA ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 111.425 0.157 . . . . 0.0 111.425 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -76.27 -21.02 56.81 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.822 0.82 . . . . 0.0 109.783 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.719 HD11 HD22 ' B' ' 37' ' ' ASN . 2.4 mm? -85.56 -44.16 12.9 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.458 -1.247 . . . . 0.0 110.09 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.669 ' HG3' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -83.33 -20.0 35.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.578 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.96 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.96 -59.61 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -85.24 -10.16 56.89 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.179 -1.373 . . . . 0.0 107.3 177.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' LYS . 15.4 t-20 62.89 37.44 12.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.505 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.704 HD21 ' HB3' ' A' ' 4' ' ' LEU . 3.2 m120 60.29 125.47 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.382 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.737 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.88 -34.42 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.09 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.2 ptm180 -57.06 -52.89 63.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 90.8 m -73.66 -38.4 64.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.655 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.4 tt -58.26 -56.45 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.271 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.655 ' HG2' HD21 ' B' ' 22' ' ' LEU . 78.5 mtp180 -44.24 -32.4 1.26 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.865 0.365 . . . . 0.0 110.624 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 -46.55 22.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 12' ' ' THR . 33.0 mt-30 -63.46 -37.46 87.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.826 0.822 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.53 -18.84 30.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.682 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 79.9 ttt180 -42.2 -31.41 0.38 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.14 0.495 . . . . 0.0 110.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.77 42.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.443 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ALA . 44.0 t -172.84 172.7 4.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 22' ' ' LEU . 57.7 m -75.43 161.83 28.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.058 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.07 -13.69 5.26 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.397 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -39.82 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 13' ' ' LEU . 98.1 m -51.37 -44.12 62.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.15 -43.27 87.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.689 178.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 1.021 ' HG2' HD12 ' B' ' 10' ' ' ILE . 3.4 tm-20 -54.12 -27.56 34.0 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 tp10 -83.65 -53.61 5.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.429 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.645 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 23.9 mmt -88.43 -45.94 9.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 61.2 tp -59.32 -25.96 64.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.873 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.013 ' HB2' HD13 ' B' ' 10' ' ' ILE . 39.4 tp10 -76.66 -31.06 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.031 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 34' ' ' VAL . 49.6 mmtt -86.2 -31.75 21.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.686 0.755 . . . . 0.0 109.525 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.042 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.3 tp -69.41 -24.17 63.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.038 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -85.4 -38.2 18.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.0 m -71.35 -36.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.147 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.615 HG22 HG11 ' B' ' 36' ' ' VAL . 7.4 p -56.21 -48.84 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.734 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -79.28 -27.92 13.25 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.683 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 33.1 t-20 -43.96 -43.79 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.47 -40.73 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.255 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.81 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -70.03 -56.87 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.19 178.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.734 ' HG2' HG22 ' A' ' 36' ' ' VAL . 19.6 mmt180 -44.9 -35.89 3.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.38 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -86.57 -53.51 4.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 34.0 mp0 -86.32 -40.79 15.11 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.121 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 4.4 tp10 -59.74 -47.55 85.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -54.79 -34.29 62.49 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.95 -41.52 82.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.111 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.638 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 40' ' ' ARG . 42.8 tp10 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.713 0.292 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.539 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -79.98 -21.71 43.36 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.83 0.824 . . . . 0.0 110.338 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.588 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.7 mm? -85.4 -39.92 17.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.749 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.2 tmtp? -82.58 -28.56 30.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.288 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.694 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.42 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.549 0.69 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.678 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -88.29 -13.09 41.71 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.992 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 61.04 34.36 19.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 61.15 126.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.774 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.021 HD12 ' HG2' ' A' ' 26' ' ' GLU . 8.0 pt -59.76 -32.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.201 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.7 ptp85 -57.06 -50.91 71.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.7 m -72.9 -32.64 65.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 110.556 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.827 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.7 tp -63.13 -59.54 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.293 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.626 ' HD2' ' HG3' ' A' ' 26' ' ' GLU . 13.2 mtp-105 -46.51 -25.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.703 0.287 . . . . 0.0 111.011 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.26 -51.57 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.041 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' B' ' 13' ' ' LEU . 27.3 pt20 -64.12 -35.3 80.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 0.0 109.726 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -85.82 -19.57 30.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 80.0 ttt180 -44.38 -29.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -101.85 36.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.458 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' ALA . 68.8 m -165.58 -166.3 0.95 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.958 0.408 . . . . 0.0 111.464 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.485 HG22 ' H ' ' B' ' 23' ' ' GLU . 57.6 m -92.6 159.56 15.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.043 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.97 -13.04 21.65 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.283 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.485 ' H ' HG22 ' B' ' 21' ' ' THR . 42.9 tt0 -39.77 -24.69 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.807 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.598 HG21 ' CD1' ' B' ' 13' ' ' LEU . 99.2 m -51.6 -40.33 59.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.043 HD21 HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -67.33 -42.96 82.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.985 0.422 . . . . 0.0 109.88 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.911 ' H ' HD12 ' B' ' 25' ' ' LEU . 5.7 tm-20 -57.49 -24.17 54.33 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 19.6 tt0 -83.48 -57.73 3.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.159 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.7 mtt -89.75 -44.27 10.11 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.998 HD12 HD23 ' A' ' 32' ' ' LEU . 55.7 tp -61.84 -28.4 69.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.662 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.9 tt0 -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.906 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.66 ' O ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -86.59 -32.37 20.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.929 0.871 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.038 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.6 tp -63.7 -25.21 68.1 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.629 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.042 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.0 pt-20 -85.33 -38.53 18.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.577 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 30' ' ' GLU . 15.3 m -65.69 -33.78 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.82 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 35.5 m -56.59 -45.57 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.675 ' HB ' ' HG2' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -83.51 -20.33 9.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.836 178.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.719 HD22 HD11 ' A' ' 4' ' ' LEU . 30.9 t-20 -57.5 -35.86 70.78 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -81.43 -40.17 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.716 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.121 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -77.4 -49.75 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.693 -179.573 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.675 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 21.7 mmm180 -44.7 -39.09 4.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.07 -45.28 11.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.32 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.65 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.7 tt0 -88.04 -46.81 9.02 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 7.6 tp10 -60.95 -45.93 92.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.099 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -55.32 -35.54 65.25 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.53 -41.8 92.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.725 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.132 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.265 179.213 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 65.7 mm-40 . . . . . 0 C--O 1.217 -0.61 0 CA-C-O 120.429 0.157 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -68.14 -26.2 65.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.907 0.86 . . . . 0.0 110.38 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -85.13 -46.87 10.7 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.742 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 49.7 tptt -80.32 -23.37 40.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.89 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 32' ' ' LEU . 7.3 tt -54.88 -52.03 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-O 121.994 0.902 . . . . 0.0 110.148 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.954 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -99.84 -10.37 21.85 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.052 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.401 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 4.5 m120 64.87 31.07 11.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.378 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.5 m120 61.76 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.504 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.784 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.12 -30.5 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.699 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.492 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -53.45 -44.83 69.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.416 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -88.09 -38.75 15.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.508 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.4 tt -66.19 -56.67 10.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.943 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.825 ' HA ' HD11 ' B' ' 22' ' ' LEU . 52.0 ttt-85 -45.47 -31.01 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.829 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.38 -52.88 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.81 HE21 ' HA ' ' A' ' 13' ' ' LEU . 27.9 pt20 -61.35 -34.87 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.378 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.6 -20.91 27.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.931 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 52.4 ttt-85 -51.0 -33.4 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.673 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.5 pt-20 -65.16 -33.69 76.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -98.03 -146.28 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.49 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 29.9 m -109.25 165.58 11.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.91 -15.77 14.41 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.528 0.204 . . . . 0.0 110.478 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -41.06 -27.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.56 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -53.11 -43.1 66.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.17 178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.976 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.1 pp -66.45 -45.82 78.5 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.976 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.0 tm-20 -54.81 -26.79 37.26 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.0 tt0 -81.21 -53.61 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.935 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.7 mtt -89.44 -47.08 8.24 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.004 HD12 HD23 ' B' ' 32' ' ' LEU . 19.2 tp -54.46 -41.35 69.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.844 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 33.8 tt0 -61.49 -30.46 70.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.7 mmtp -86.52 -30.78 21.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.871 0.843 . . . . 0.0 109.465 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.3 tp -68.28 -24.81 64.91 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.308 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.047 ' HA ' HD11 ' B' ' 32' ' ' LEU . 19.5 pt-20 -86.3 -43.47 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.804 HG22 ' HA ' ' A' ' 31' ' ' LYS . 30.5 m -63.98 -34.03 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.487 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.83 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 6.7 m -55.94 -51.79 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -74.98 -20.52 16.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.469 178.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 29.2 t-20 -54.26 -38.45 65.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.641 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 57.1 mm-40 -82.71 -42.81 17.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.329 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.035 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.65 -54.23 14.89 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.754 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 2.9 mmp_? -46.15 -41.27 12.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -83.84 -36.46 23.44 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 38.3 tt0 -80.64 -43.7 20.04 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 111.626 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.096 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.1 mm-40 -57.39 -47.5 81.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -56.17 -34.45 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.02 -41.47 77.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.4 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.125 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.898 179.628 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.6 tt0 . . . . . 0 C--O 1.227 -0.111 0 CA-C-O 120.669 0.271 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.647 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -86.56 -21.98 26.57 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.984 0.897 . . . . 0.0 109.939 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.1 mt -84.37 -42.42 15.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.079 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.673 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.0 tmtt? -84.75 -23.88 29.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.248 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.955 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.15 -53.3 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.805 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.59 -8.92 39.81 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.772 178.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 64.17 25.16 13.6 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.622 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 71.3 m-80 61.39 125.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.646 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -46.67 -31.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.156 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.487 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.5 ptm85 -56.75 -50.18 73.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.948 0.404 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 92.6 m -79.67 -37.04 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.409 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.644 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.4 tt -61.45 -55.31 32.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.576 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 78.0 mtp180 -45.46 -34.09 3.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.69 -50.65 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.951 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.566 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 0.1 OUTLIER -66.35 -29.89 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.418 0.627 . . . . 0.0 110.309 -179.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.09 -24.08 24.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.281 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' NE ' ' B' ' 18' ' ' ARG . 1.8 tpm_? -42.19 -32.66 0.51 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.408 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.78 33.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.608 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 17' ' ' ALA . 50.2 m -163.37 -160.78 0.62 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.891 0.377 . . . . 0.0 111.578 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.558 HG22 ' N ' ' B' ' 22' ' ' LEU . 28.5 m -100.57 167.83 10.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.925 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -58.67 -15.15 10.51 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.623 0.249 . . . . 0.0 110.397 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 27' ' ' GLU . 24.6 pt-20 -40.58 -27.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.346 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.511 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -51.64 -42.6 62.18 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.929 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.971 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.1 pp -67.22 -45.96 75.24 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.971 ' H ' HD12 ' B' ' 25' ' ' LEU . 3.9 tm-20 -53.35 -25.49 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 4.9 mm-40 -81.87 -55.16 4.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.908 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 59.7 mtt -88.97 -46.16 9.1 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.089 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.954 ' HG ' HD22 ' A' ' 7' ' ' LEU . 53.8 tp -54.74 -32.98 60.55 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.663 ' O ' HG13 ' B' ' 34' ' ' VAL . 85.5 tt0 -71.46 -32.5 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 111.213 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.673 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.4 mmtp -87.13 -33.67 19.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.901 0.858 . . . . 0.0 110.006 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.047 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -67.17 -23.38 65.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.85 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.008 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.4 pt-20 -86.03 -44.43 12.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.576 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.4 m -60.41 -35.93 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.835 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 15.2 m -55.29 -51.05 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -76.07 -20.61 15.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.579 178.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.463 ' OD1' HD11 ' A' ' 4' ' ' LEU . 29.9 t30 -56.39 -36.96 69.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.629 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 55.9 mt-10 -83.55 -44.21 14.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.096 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.48 -50.96 40.41 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.745 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 2.9 mmp_? -47.08 -42.23 18.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.608 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 12.5 pt-20 -82.9 -37.36 24.35 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.1 mm-40 -77.27 -38.79 50.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.966 0.413 . . . . 0.0 111.53 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.035 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 12.6 mm-40 -59.11 -47.39 85.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -56.39 -33.93 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.95 -41.62 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.492 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.834 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.57 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.9 tp10 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.728 0.299 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -77.87 -20.83 52.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.879 0.847 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -84.0 -43.37 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.779 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -84.79 -22.54 29.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.5 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 32' ' ' LEU . 4.3 tt -54.43 -46.26 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.36 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.15 -10.77 16.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.3 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.05 33.46 14.66 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.2 m120 60.43 127.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.41 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.89 -30.24 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.115 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 14.5 ptp180 -53.06 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.2 m -84.55 -36.0 22.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.528 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.851 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -64.81 -55.93 16.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.994 ' HA ' HD11 ' B' ' 22' ' ' LEU . 11.7 ptm180 -44.41 -34.43 2.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.528 0.204 . . . . 0.0 111.345 -178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.73 9.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.236 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.851 HE21 ' HA ' ' A' ' 13' ' ' LEU . 21.9 pt20 -60.72 -35.42 76.29 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.697 0.76 . . . . 0.0 109.505 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.43 -21.64 26.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.729 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 3.5 tmt_? -51.22 -32.02 22.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -62.6 -36.08 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.7 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -104.12 -144.54 0.37 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.506 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 22' ' ' LEU . 27.6 m -105.77 166.96 10.1 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.031 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -59.2 -14.6 11.24 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 89.1 tt0 -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.769 0.319 . . . . 0.0 110.461 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 5.4 t -51.81 -42.78 62.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.059 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.34 -43.06 82.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 36.0 tt0 -54.38 -25.31 23.69 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 4.5 mm-40 -83.29 -52.87 6.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.808 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.42 -46.65 8.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.217 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.84 HD12 HD23 ' B' ' 32' ' ' LEU . 31.5 tp -56.67 -34.54 67.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 34' ' ' VAL . 40.0 tt0 -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.0 111.566 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.69 ' HA ' HG22 ' A' ' 34' ' ' VAL . 28.7 mmtp -87.08 -28.63 22.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.641 0.734 . . . . 0.0 110.046 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.113 HD11 ' HA ' ' B' ' 33' ' ' GLU . 35.4 tp -69.85 -25.55 63.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.691 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.76 -32.44 23.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.515 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' A' ' 31' ' ' LYS . 18.2 m -74.51 -38.43 46.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.4 m -54.38 -47.09 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.879 HG22 ' HG2' ' A' ' 40' ' ' ARG . 11.8 p -85.4 -19.35 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.729 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 22.8 t30 -55.33 -38.6 68.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.15 -40.65 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.709 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.956 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.2 -53.18 18.18 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.753 179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.879 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.0 mmt180 -45.04 -41.61 7.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.704 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -87.1 -44.56 11.44 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.4 tt0 -82.06 -40.86 21.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 10.2 tm-20 -56.89 -47.69 79.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -35.68 61.92 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.44 -41.73 88.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.025 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.621 179.275 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 39.0 tt0 . . . . . 0 C--O 1.226 -0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.678 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -73.89 -24.21 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.219 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -83.44 -44.15 15.07 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.955 -179.317 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -82.24 -24.31 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.885 HG21 HD13 ' B' ' 32' ' ' LEU . 3.9 tt -54.36 -45.58 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-O 121.679 0.752 . . . . 0.0 109.407 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.1 -13.75 15.63 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.228 179.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.93 32.58 8.44 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.836 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.506 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.4 m120 60.02 128.45 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.196 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.707 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -52.63 -29.12 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.757 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.485 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.0 ptp180 -55.58 -49.48 72.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 89.9 m -86.47 -38.22 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.639 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.5 tm? -61.24 -52.05 66.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.967 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.866 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.0 ttt-85 -48.63 -36.4 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.517 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' B' ' 18' ' ' ARG . . . -83.37 -48.64 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 14.6 pt20 -60.21 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.426 0.632 . . . . 0.0 109.924 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.24 -24.35 27.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.524 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.755 ' HG2' ' O ' ' B' ' 14' ' ' ARG . 2.4 mmm180 -42.91 -32.29 0.61 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.15 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -81.41 28.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.0 p -167.29 -156.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.484 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.536 HG22 ' N ' ' B' ' 22' ' ' LEU . 35.1 m -102.65 165.39 11.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.509 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.994 HD11 ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.66 -14.75 9.18 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.479 ' N ' HD23 ' B' ' 22' ' ' LEU . 89.0 tt0 -40.69 -26.29 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 110.494 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.54 ' OG1' HD21 ' B' ' 13' ' ' LEU . 5.7 t -52.75 -40.62 63.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.949 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -67.95 -42.3 81.14 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.156 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.93 ' H ' HD12 ' B' ' 25' ' ' LEU . 71.0 tt0 -57.42 -23.97 52.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 80.4 tt0 -84.23 -55.83 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.911 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 60.9 mtt -90.03 -45.34 9.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 32' ' ' LEU . 50.8 tp -63.35 -23.28 67.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.6 ' O ' HG13 ' B' ' 34' ' ' VAL . 30.6 tt0 -77.93 -33.91 51.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.036 0.446 . . . . 0.0 111.18 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.4 mmtp -86.37 -30.13 22.4 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.936 0.874 . . . . 0.0 109.237 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 37.2 tp -66.17 -24.95 66.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.76 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.113 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.6 pt-20 -85.58 -38.14 18.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.555 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.9 m -67.77 -34.89 70.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.155 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.668 HG22 ' O ' ' B' ' 32' ' ' LEU . 31.2 m -55.63 -42.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -85.16 -26.57 6.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.229 178.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 38.3 t30 -47.81 -39.09 17.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 20.2 pt-20 -87.99 -45.14 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.474 177.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.967 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.32 -57.25 4.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 111.261 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.668 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.5 tpp180 -48.29 -32.77 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -85.78 -45.36 11.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 96.1 mt-10 -80.22 -38.84 30.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.096 0.474 . . . . 0.0 112.022 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.956 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 24.5 mm-40 -59.74 -46.3 89.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -54.66 -33.31 60.55 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -70.98 -44.41 66.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.514 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.076 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.669 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.576 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.8 tt0 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -81.03 -27.8 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.567 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.679 ' HB3' HD21 ' A' ' 9' ' ' ASN . 2.2 mm? -82.73 -34.28 27.26 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.703 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.6 tmtt? -85.91 -27.68 24.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.972 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 3.7 tt -52.97 -46.34 53.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.462 0.648 . . . . 0.0 109.504 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.982 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -105.26 -6.92 19.29 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.241 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 12' ' ' THR . 11.7 t-20 60.57 31.48 20.24 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.466 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.679 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.6 m120 63.52 130.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.57 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.855 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -23.36 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.206 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.631 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.4 ptp85 -56.82 -53.68 55.03 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 13.1 t -74.41 -30.25 61.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.462 . . . . 0.0 110.451 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 HD22 ' B' ' 25' ' ' LEU . 6.7 tp -61.87 -53.66 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.89 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.567 HH12 ' HD3' ' A' ' 18' ' ' ARG . 29.6 tpt85 -47.79 -28.48 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.69 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.22 -51.4 5.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.536 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.7 pt20 -63.46 -33.75 76.24 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.438 0.637 . . . . 0.0 110.219 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -86.2 -20.48 28.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.412 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD3' HH12 ' A' ' 14' ' ' ARG . 11.7 tpt180 -44.26 -29.31 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.06 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -105.18 40.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.321 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -160.95 -146.23 0.13 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.666 0.27 . . . . 0.0 111.358 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 22' ' ' LEU . 39.5 m -126.41 162.66 25.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.955 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -56.2 -15.01 3.18 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 120.624 0.249 . . . . 0.0 110.888 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -40.22 -27.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 13' ' ' LEU . 5.5 t -56.55 -42.46 78.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.522 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.955 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.04 -42.36 84.97 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 120.929 0.395 . . . . 0.0 110.045 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.917 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.31 -26.35 51.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.5 tt0 -83.95 -51.84 6.82 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.996 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.5 mmt -89.52 -48.55 7.24 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.831 HD12 HD23 ' B' ' 32' ' ' LEU . 62.0 tp -60.72 -25.68 66.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.444 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 3.3 tp10 -77.29 -32.76 55.67 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.974 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.2 mmtp -87.02 -31.45 20.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.703 0.763 . . . . 0.0 109.752 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.055 HD11 ' HA ' ' B' ' 33' ' ' GLU . 42.8 tp -67.07 -24.57 65.98 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.551 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.056 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -86.88 -42.25 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.953 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.0 m -65.27 -34.38 70.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.717 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 8.1 p -56.56 -50.41 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -73.67 -30.36 28.99 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.331 177.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' OD1' HD21 ' B' ' 4' ' ' LEU . 29.5 t30 -48.12 -41.19 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.62 -34.94 77.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.133 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.105 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -76.11 -46.72 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.492 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.707 ' HD3' ' HB3' ' B' ' 2' ' ' GLU . 8.5 mmp_? -51.2 -37.1 44.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.58 -46.17 9.79 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.297 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -88.18 -45.13 10.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.963 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.1 tm-20 -53.81 -48.16 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -59.74 -36.74 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -61.01 -42.09 97.8 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.175 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 CA--C 1.521 -0.15 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.246 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.707 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 89.1 tt0 . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.555 0.217 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.02 -28.27 39.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.743 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' B' ' 9' ' ' ASN . 2.2 mm? -84.14 -35.77 23.38 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.9 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -81.02 -30.75 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.413 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.893 HG21 HD13 ' B' ' 32' ' ' LEU . 3.1 tt -54.65 -41.29 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 121.8 0.81 . . . . 0.0 109.646 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -104.21 -19.27 14.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.092 -1.413 . . . . 0.0 110.061 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 64.92 30.09 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.663 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.3 m120 62.44 127.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.511 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.764 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -56.8 -27.79 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.453 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.528 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.4 ptm180 -55.48 -52.1 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 97.3 m -73.57 -33.63 64.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 25' ' ' LEU . 5.4 tp -62.15 -59.23 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.386 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.867 ' HG3' HD21 ' A' ' 22' ' ' LEU . 35.0 ttt-85 -46.02 -25.73 0.61 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.29 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.05 -50.48 6.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.944 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.8 pt20 -64.34 -34.93 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.063 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.603 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -86.44 -19.84 29.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.378 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -42.49 -30.15 0.33 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -105.6 42.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.307 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.42 ' N ' ' O ' ' B' ' 17' ' ' ALA . 79.8 p -169.27 -171.17 1.22 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 111.525 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.589 HG22 ' H ' ' B' ' 23' ' ' GLU . 55.9 m -86.77 155.89 20.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.048 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -63.16 -13.24 34.71 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.539 179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.589 ' H ' HG22 ' B' ' 21' ' ' THR . 12.5 pt-20 -39.26 -24.89 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.938 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.61 HG21 HD13 ' B' ' 13' ' ' LEU . 93.8 m -50.55 -41.24 53.83 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.048 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.046 0.451 . . . . 0.0 109.946 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.933 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.3 tt0 -55.61 -24.9 35.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 34.6 tt0 -83.71 -53.78 5.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.931 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.8 mtt -89.75 -46.03 8.88 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.982 ' HG ' HD22 ' A' ' 7' ' ' LEU . 59.9 tp -58.21 -36.77 73.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.0 tt0 -67.55 -34.56 77.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.562 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' B' ' 34' ' ' VAL . 59.0 mmtt -86.82 -29.5 22.21 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 121.811 0.815 . . . . 0.0 109.628 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.056 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.5 tp -68.64 -24.35 64.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.505 -1.225 . . . . 0.0 109.894 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.055 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -85.93 -43.71 12.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.0 m -64.69 -34.27 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.84 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 32' ' ' LEU . 14.9 p -56.46 -49.84 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -74.29 -35.56 40.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.054 177.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.553 ' OD1' HD21 ' A' ' 4' ' ' LEU . 28.0 t30 -42.88 -41.07 3.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -69.22 -40.18 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.963 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -74.53 -47.7 31.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.598 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmm180 -47.68 -39.52 17.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -87.46 -44.33 11.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.618 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 66.9 mm-40 -87.14 -45.19 10.91 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.105 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -53.21 -50.14 65.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -58.54 -37.27 75.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -61.31 -41.37 96.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.379 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.172 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.617 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 37.8 tt0 . . . . . 0 C--O 1.226 -0.164 0 CA-C-O 120.618 0.247 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.48 -20.92 58.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.991 0.901 . . . . 0.0 110.068 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD11 ' ND2' ' B' ' 37' ' ' ASN . 0.7 OUTLIER -84.64 -46.2 11.74 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.794 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.3 -24.14 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.794 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -54.3 -45.94 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 121.628 0.727 . . . . 0.0 109.275 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.04 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -105.11 -9.76 17.58 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.471 -1.24 . . . . 0.0 108.988 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.9 35.4 16.38 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.3 m120 59.46 127.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.066 HD13 ' HB2' ' B' ' 30' ' ' GLU . 24.5 pt -53.14 -23.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.884 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -63.8 -51.32 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 95.8 m -73.84 -38.52 64.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -63.37 -50.27 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' B' ' 22' ' ' LEU . 12.6 tpt180 -44.27 -35.06 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 -47.61 10.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.352 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.785 HE21 ' HA ' ' A' ' 13' ' ' LEU . 19.5 pt20 -63.85 -34.72 78.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 109.801 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.38 -21.35 27.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -45.33 -30.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.962 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -90.3 32.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.478 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ALA . 83.8 p -165.59 -159.56 0.42 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 111.306 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -101.39 -174.25 2.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.585 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.989 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -70.76 -14.57 62.48 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.912 179.575 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' HH12 ' B' ' 14' ' ' ARG . 2.1 pp20? -40.43 -27.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.512 HG23 ' CD2' ' B' ' 25' ' ' LEU . 4.9 t -55.59 -42.07 74.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.27 -42.28 84.12 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.925 ' N ' HD12 ' A' ' 25' ' ' LEU . 27.3 tt0 -54.55 -26.62 33.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.2 tt0 -83.54 -49.99 8.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.047 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.26 -47.85 7.77 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.948 ' HG ' HD22 ' B' ' 7' ' ' LEU . 34.5 tp -56.42 -38.95 72.25 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.78 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 34' ' ' VAL . 33.9 tt0 -65.6 -34.97 79.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.777 ' HA ' HG22 ' A' ' 34' ' ' VAL . 29.4 mmtp -86.64 -26.81 24.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.594 0.711 . . . . 0.0 110.26 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' B' ' 33' ' ' GLU . 14.3 tp -70.43 -26.22 63.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.483 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.043 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.5 pt-20 -84.58 -34.39 23.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.62 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.5 m -72.99 -38.95 57.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.293 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.751 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 16.4 m -54.15 -46.36 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.874 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.6 p -86.45 -18.77 8.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.767 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' B' ' 4' ' ' LEU . 29.5 t-20 -55.54 -42.88 75.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' HE ' ' A' ' 39' ' ' ARG . 10.3 pt-20 -73.91 -39.15 64.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.168 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.842 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.66 -54.76 12.36 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 121.704 0.764 . . . . 0.0 109.776 178.406 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.874 ' HG2' HG22 ' A' ' 36' ' ' VAL . 7.2 mmm180 -43.49 -40.47 3.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.801 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -83.98 -47.22 11.22 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 50.5 mt-10 -82.82 -42.02 18.37 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 112.092 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.901 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 23.7 tp10 -56.04 -48.47 75.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.0 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -55.5 -35.49 65.64 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.86 -40.99 83.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.85 179.647 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 . . . . . 0 C--O 1.226 -0.183 0 CA-C-O 120.557 0.217 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -78.08 -26.88 48.36 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.749 0.785 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.634 HD11 ' ND2' ' A' ' 37' ' ' ASN . 1.8 mm? -84.2 -38.13 20.98 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.661 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.542 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.3 tptp -83.77 -28.22 28.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.517 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 32' ' ' LEU . 5.4 tt -55.56 -46.31 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.602 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.948 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.85 -13.18 15.6 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.202 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.542 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 73.1 m-80 66.73 32.5 6.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.06 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.8 m120 59.61 126.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.452 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.714 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -51.68 -26.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.888 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.4 ptm85 -58.65 -52.68 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 99.3 m -86.32 -33.91 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.214 0.53 . . . . 0.0 110.73 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.801 HD21 HG21 ' B' ' 24' ' ' THR . 2.1 tm? -61.07 -51.53 68.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.646 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.893 ' HG3' HD21 ' A' ' 22' ' ' LEU . 33.8 ttt85 -52.12 -34.46 44.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.22 -49.59 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.405 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.628 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -62.93 -32.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 109.792 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -86.22 -24.1 26.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.044 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.632 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 12.1 tpt180 -49.48 -34.36 16.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.722 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 16' ' ' GLN . 12.5 pt-20 -61.4 -34.87 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.2 m -103.76 -142.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.422 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.645 HG22 ' H ' ' B' ' 22' ' ' LEU . 16.2 m -113.91 174.23 6.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.142 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.977 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.68 -15.05 10.08 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 24.5 pt-20 -41.44 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 110.182 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.801 HG21 HD21 ' B' ' 13' ' ' LEU . 99.8 m -55.32 -41.28 72.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.074 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.98 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -68.06 -47.18 69.04 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.378 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.98 ' H ' HD12 ' B' ' 25' ' ' LEU . 24.0 pt-20 -56.05 -23.53 33.97 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.342 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 44.6 tt0 -83.42 -51.67 7.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.755 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.6 mmt -89.21 -49.02 6.99 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.018 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 1.04 ' HG ' HD22 ' A' ' 7' ' ' LEU . 19.4 tp -51.95 -41.54 62.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.388 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 1.066 ' HB2' HD13 ' A' ' 10' ' ' ILE . 42.9 tt0 -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.679 ' HA ' HG22 ' B' ' 34' ' ' VAL . 8.5 mmpt? -83.69 -31.64 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.894 0.854 . . . . 0.0 109.481 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.043 HD11 ' HA ' ' A' ' 33' ' ' GLU . 24.9 tp -71.17 -24.89 62.33 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.103 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.911 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.1 pt-20 -85.83 -43.35 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' B' ' 31' ' ' LYS . 35.1 m -63.13 -35.82 73.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.074 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.744 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.5 p -55.54 -42.72 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -86.36 -20.15 7.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 177.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.62 ' ND2' HD11 ' A' ' 4' ' ' LEU . 29.8 t-20 -53.47 -38.66 63.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.902 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -84.44 -39.92 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.8 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.902 ' HD2' ' HG3' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -72.65 -53.64 11.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.758 179.158 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.8 mmm180 -46.37 -39.1 9.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.756 0.312 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -83.97 -46.21 12.31 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.6 mp0 -85.88 -42.95 13.66 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.842 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.21 -48.32 79.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.056 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.95 -34.67 68.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.94 -41.66 97.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.046 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.319 179.24 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.6 tp10 . . . . . 0 C--O 1.227 -0.125 0 CA-C-O 120.654 0.264 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.737 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.87 -23.91 41.6 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.897 0.856 . . . . 0.0 110.449 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 9' ' ' ASN . 1.3 mm? -85.1 -39.11 18.31 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.657 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.647 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -85.15 -27.5 26.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.761 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.58 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.434 0.635 . . . . 0.0 109.41 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.917 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -95.19 -8.28 36.69 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.944 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.12 34.19 16.49 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.776 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.656 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.9 m120 60.64 126.52 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.855 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.84 -32.38 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.615 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -59.58 -50.54 73.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.195 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 91.6 m -74.27 -37.37 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.392 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -60.64 -57.44 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.7 mtp180 -47.04 -31.62 3.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -76.32 -47.65 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.823 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.734 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.0 pt20 -70.97 -31.78 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.487 0.661 . . . . 0.0 110.178 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.98 -20.8 26.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.194 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.1 ptt85 -43.52 -34.34 1.34 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 87.5 tt0 -88.45 36.34 0.79 Allowed 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.763 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ALA . 35.5 t -170.15 -177.47 2.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 22' ' ' LEU . 24.2 m -86.6 169.69 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.731 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.884 ' HG ' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.98 -14.6 9.77 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 120.691 0.281 . . . . 0.0 110.27 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.14 0.04 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.8 -42.81 65.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.281 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.006 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -65.66 -47.5 75.3 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.416 178.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 1.006 ' H ' HD12 ' A' ' 25' ' ' LEU . 23.3 tt0 -54.25 -25.66 24.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.985 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 tt0 -80.3 -53.53 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.791 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.56 ' HE2' ' HG2' ' A' ' 27' ' ' GLU . 11.2 mmt -89.77 -46.94 8.24 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.022 0.439 . . . . 0.0 112.087 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' B' ' 7' ' ' LEU . 56.5 tp -54.24 -43.48 70.92 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.961 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.5 tt0 -60.87 -30.22 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.041 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.686 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.0 mmtp -86.64 -29.02 22.85 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.779 0.8 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.977 HD11 ' HA ' ' B' ' 33' ' ' GLU . 16.2 tp -68.88 -26.14 64.97 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.785 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.933 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.74 -36.73 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.633 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 31' ' ' LYS . 19.9 m -68.45 -37.74 78.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.209 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG21 HG11 ' B' ' 36' ' ' VAL . 15.0 m -55.24 -52.96 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 7.4 p -77.7 -18.83 13.98 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.638 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.457 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 42.6 t30 -58.17 -43.65 87.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.384 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -74.73 -47.3 32.09 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 121.33 0.586 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.91 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.5 mmm180 -45.05 -41.29 7.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.885 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -86.63 -44.04 12.18 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -86.11 -44.14 12.49 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 11.1 tm-20 -57.84 -48.37 79.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.162 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.29 -33.0 65.11 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.98 -43.97 81.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.398 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.97 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 . . . . . 0 C--O 1.226 -0.178 0 CA-C-O 120.562 0.22 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.734 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.71 -24.05 41.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.837 0.827 . . . . 0.0 110.46 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.631 ' HB3' HD21 ' B' ' 9' ' ' ASN . 1.3 mm? -85.17 -39.09 18.25 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.63 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.8 tmtt? -85.13 -27.62 26.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.084 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.757 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.62 -52.56 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 CA-C-O 121.465 0.65 . . . . 0.0 109.487 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -95.36 -8.02 36.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.885 178.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' B' ' 12' ' ' THR . 5.6 m120 62.01 34.23 16.76 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.802 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.631 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.9 m120 60.45 126.62 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.846 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -51.86 -32.37 14.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.56 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -59.57 -50.61 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' B' ' 8' ' ' ASN . 91.0 m -74.18 -37.45 63.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.737 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.61 -57.4 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.295 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.771 ' HG2' HD21 ' A' ' 22' ' ' LEU . 79.5 mtp180 -47.05 -31.65 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -76.36 -47.47 23.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.907 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.737 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -71.17 -31.62 67.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.421 0.629 . . . . 0.0 110.104 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.02 -20.94 26.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.163 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 15' ' ' ALA . 30.0 ptt85 -43.32 -34.49 1.24 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.262 0.553 . . . . 0.0 109.536 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 19' ' ' GLU . 87.4 tt0 -88.37 36.32 0.78 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.693 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 17' ' ' ALA . 35.4 t -170.14 -177.44 2.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.957 0.408 . . . . 0.0 111.393 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.577 HG22 ' N ' ' B' ' 22' ' ' LEU . 23.9 m -86.54 169.72 12.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.907 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.04 -14.5 9.84 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.711 0.291 . . . . 0.0 110.352 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.513 ' N ' HD23 ' B' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.534 HG21 HD21 ' B' ' 13' ' ' LEU . 5.2 t -52.74 -42.81 65.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.244 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.96 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -65.71 -47.5 75.15 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.343 178.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.96 ' H ' HD12 ' B' ' 25' ' ' LEU . 23.3 tt0 -54.23 -25.65 24.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.572 -0.851 . . . . 0.0 108.881 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.66 ' HG2' ' HE2' ' B' ' 28' ' ' MET . 39.5 tt0 -80.26 -53.69 6.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.757 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.66 ' HE2' ' HG2' ' B' ' 27' ' ' GLU . 11.4 mmt -89.64 -47.06 8.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.975 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.917 ' HG ' HD22 ' A' ' 7' ' ' LEU . 56.2 tp -54.14 -43.44 70.53 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.645 ' O ' HG13 ' B' ' 34' ' ' VAL . 38.4 tt0 -61.03 -30.12 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.685 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.9 mmtp -86.58 -29.03 22.92 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.787 0.803 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.933 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -68.93 -26.18 64.94 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.701 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.977 ' HA ' HD11 ' A' ' 32' ' ' LEU . 1.7 pp20? -84.7 -36.71 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.656 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' B' ' 31' ' ' LYS . 20.1 m -68.52 -37.72 78.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 36' ' ' VAL . 15.1 m -55.32 -52.78 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.4 p -77.8 -18.93 13.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.082 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.534 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 42.8 t30 -58.03 -43.69 86.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.594 0.711 . . . . 0.0 109.263 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -69.68 -41.62 75.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.483 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.834 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.7 -47.42 31.6 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.967 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.911 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.6 mmm180 -44.94 -41.44 7.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -86.6 -44.01 12.22 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.3 mt-10 -86.06 -44.14 12.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 11.1 tm-20 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.118 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.2 -33.12 65.01 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.84 -44.09 81.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.432 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.9 tt0 . . . . . 0 C--O 1.226 -0.15 0 CA-C-O 120.744 0.307 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.823 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -74.18 -21.68 59.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.837 0.827 . . . . 0.0 110.136 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 mp -84.35 -45.65 12.56 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 26.1 tptp -80.71 -23.16 39.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.748 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.953 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.0 -48.59 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.663 0.744 . . . . 0.0 109.9 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -103.37 -10.98 18.19 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.392 -1.277 . . . . 0.0 109.361 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.527 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 63.4 m-80 67.18 25.35 9.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.55 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.615 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 3.2 m120 64.91 132.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.206 0.527 . . . . 0.0 111.834 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -19.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.838 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' THR . 16.2 ptp180 -59.2 -56.84 16.96 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.633 0.254 . . . . 0.0 111.583 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 8.8 t -85.36 -29.8 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.233 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.7 tm? -60.7 -46.91 88.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.949 ' HD2' HD21 ' B' ' 22' ' ' LEU . 11.0 tpt180 -51.45 -35.99 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.442 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.44 -47.04 9.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 15.6 pt20 -62.67 -34.24 76.7 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.45 0.643 . . . . 0.0 109.961 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.05 -23.41 26.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.167 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.9 tpt180 -47.99 -32.2 6.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.915 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -83.51 26.63 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.383 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -162.43 -154.17 0.3 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.778 0.323 . . . . 0.0 111.264 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.2 p -102.09 174.38 5.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.04 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -68.61 -15.47 63.54 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.114 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.2 tt0 -41.12 -26.74 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.404 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 t -53.26 -42.22 66.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.085 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.04 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.45 -44.68 82.15 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.363 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.948 ' H ' HD12 ' A' ' 25' ' ' LEU . 36.3 tt0 -53.82 -26.31 23.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 65.8 mm-40 -82.71 -54.19 5.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 24' ' ' THR . 19.8 ptp -89.64 -45.87 9.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.827 HD12 HD23 ' B' ' 32' ' ' LEU . 40.4 tp -53.3 -41.87 66.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.883 0.373 . . . . 0.0 110.161 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 34' ' ' VAL . 85.8 tt0 -62.91 -33.66 75.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.639 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 34' ' ' VAL . 24.8 mmtp -86.46 -28.97 23.16 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.804 0.811 . . . . 0.0 109.542 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.065 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.9 tp -68.37 -24.12 64.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.346 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.986 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.0 pt-20 -86.13 -42.5 13.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 31' ' ' LYS . 20.5 m -60.18 -36.37 67.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.59 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 14.0 m -56.42 -48.87 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.6 -19.66 14.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.375 177.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' OD1' HD11 ' B' ' 4' ' ' LEU . 34.6 t30 -58.18 -37.49 74.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.62 -43.66 15.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.129 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.05 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.86 -48.52 65.91 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.744 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.615 HH11 ' HE ' ' B' ' 39' ' ' ARG . 22.4 mmm180 -53.52 -44.0 68.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.86 -35.14 51.35 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 41.1 tp10 -80.19 -36.29 35.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.353 . . . . 0.0 111.394 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.026 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 16.2 mm-40 -59.56 -49.44 77.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -58.15 -32.73 68.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -70.13 -39.74 75.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.537 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.673 179.66 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.53 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.8 tt0 . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -73.87 -28.28 61.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.155 0.978 . . . . 0.0 110.211 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.5 mp -76.76 -45.82 27.54 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.271 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.1 tmtp? -77.6 -36.64 51.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.944 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.878 HG21 HD13 ' B' ' 32' ' ' LEU . 2.0 tt -53.71 -41.75 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-O 122.307 1.051 . . . . 0.0 108.956 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.1 tt -88.47 -28.11 21.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.635 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.597 HD22 HE22 ' B' ' 16' ' ' GLN . 52.2 t30 62.31 12.73 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.594 ' CA ' HD22 ' B' ' 7' ' ' LEU . 2.7 m120 70.27 127.67 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.038 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.047 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.84 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.07 -35.37 22.65 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.704 -179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' B' ' 12' ' ' THR . 36.6 ptt180 -49.25 -43.8 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.07 0.462 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.685 HG23 ' HG3' ' B' ' 11' ' ' ARG . 25.9 p -88.14 -38.32 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.071 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.697 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -63.72 -58.69 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.405 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -46.32 -28.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 111.152 -178.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.552 ' N ' ' HD3' ' B' ' 14' ' ' ARG . . . -85.51 -52.26 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.697 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.9 pt20 -61.98 -33.51 74.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.7 -22.95 27.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.158 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.64 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -48.48 -33.36 9.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.4 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -61.51 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.1 p -103.14 -144.28 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.319 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.628 HG22 ' H ' ' B' ' 22' ' ' LEU . 15.8 m -110.52 173.69 6.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.379 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.991 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.71 -14.3 8.18 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.552 0.215 . . . . 0.0 110.502 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.448 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.6 tp10 -39.83 -27.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.372 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' B' ' 22' ' ' LEU . 64.1 m -53.57 -43.67 68.68 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.235 178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.991 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -66.98 -45.09 78.72 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.693 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.6 tt0 -56.26 -24.86 45.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.5 tp10 -84.03 -53.54 5.48 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.3 mmt -88.88 -48.64 7.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.176 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.903 HD12 HD23 ' A' ' 32' ' ' LEU . 45.8 tp -59.06 -28.51 66.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.05 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.467 ' HB2' HG21 ' A' ' 10' ' ' ILE . 78.1 tt0 -72.61 -31.6 65.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.68 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.765 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -87.07 -32.24 20.07 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.76 0.791 . . . . 0.0 109.587 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.018 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 15.5 tp -66.61 -24.21 66.28 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.989 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.065 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -86.73 -45.48 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.169 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' B' ' 31' ' ' LYS . 34.7 m -63.7 -33.18 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.331 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 36' ' ' VAL . 8.0 p -58.47 -46.19 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.4 -20.66 12.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.66 177.444 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 29.6 t30 -55.88 -37.76 69.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.98 -43.07 20.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.892 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.026 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.53 -54.57 15.92 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.697 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' B' ' 36' ' ' VAL . 22.5 mmm180 -47.62 -39.83 17.93 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.706 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.5 -38.96 23.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.6 tt0 -78.01 -40.41 39.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 111.451 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.05 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 22.1 mm-40 -57.76 -47.56 82.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.78 -34.31 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.64 -44.73 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.702 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.758 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.611 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 36.9 tt0 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.693 0.282 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.8 -21.25 34.58 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.916 0.865 . . . . 0.0 109.491 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.648 ' HB3' HD21 ' A' ' 9' ' ' ASN . 10.1 mt -82.23 -46.57 13.54 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.501 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.654 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.2 tmtp? -79.59 -24.05 42.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.276 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.1 HG21 HD13 ' A' ' 32' ' ' LEU . 3.3 tt -53.03 -45.6 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.607 0.718 . . . . 0.0 109.169 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.677 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -104.85 -7.19 19.57 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.479 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.57 30.46 17.06 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.944 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.648 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.8 m120 61.71 129.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.874 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.35 -23.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.624 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 13.9 ptp180 -65.5 -51.66 58.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 94.8 m -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.206 0.526 . . . . 0.0 110.501 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 24' ' ' THR . 6.1 tt -63.89 -51.34 65.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' B' ' 22' ' ' LEU . 32.8 tpt85 -46.29 -32.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.27 -49.69 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.274 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.758 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.29 -33.72 76.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.532 0.682 . . . . 0.0 109.735 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.3 -19.54 29.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.523 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -44.73 -30.06 0.88 Allowed 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.325 0.583 . . . . 0.0 109.748 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -115.32 45.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.1 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' ALA . 47.4 t -168.44 163.81 12.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' H ' ' A' ' 23' ' ' GLU . 57.1 m -68.39 155.62 39.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.183 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.102 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.22 -12.92 9.99 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.607 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.522 ' H ' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -39.71 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.758 -179.376 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 13' ' ' LEU . 4.9 t -52.76 -40.75 63.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.777 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.102 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.83 -43.12 76.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.09 0.472 . . . . 0.0 109.902 178.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.927 ' N ' HD12 ' A' ' 25' ' ' LEU . 29.0 tt0 -57.51 -23.69 51.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 81.4 tt0 -84.2 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.918 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.3 mmt -89.71 -46.27 8.73 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.872 HD12 HD23 ' B' ' 32' ' ' LEU . 34.5 tp -61.45 -26.6 67.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.6 tt0 -74.25 -35.1 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 111.268 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' A' ' 34' ' ' VAL . 53.9 mmtt -86.08 -28.46 24.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 109.592 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.1 HD13 HG21 ' A' ' 6' ' ' ILE . 16.3 tp -66.4 -26.13 67.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.021 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.041 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.3 pt-20 -85.13 -40.79 16.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.006 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 31' ' ' LYS . 22.9 m -68.01 -33.53 61.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.959 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.71 HG22 HG11 ' B' ' 36' ' ' VAL . 14.9 p -57.74 -48.15 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -78.04 -32.34 17.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.958 177.389 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.597 ' OD1' HD21 ' B' ' 4' ' ' LEU . 45.4 t30 -42.27 -42.83 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.583 0.706 . . . . 0.0 109.39 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.67 -40.25 73.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.929 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.915 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -75.39 -52.9 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.735 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.673 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 23.1 mmm180 -44.65 -37.65 3.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.88 -48.32 8.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.5 mm-40 -87.45 -44.8 11.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -57.13 -48.41 78.74 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -55.94 -35.73 66.98 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.48 -41.43 98.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.787 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.493 179.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 111.351 0.13 . . . . 0.0 111.351 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.665 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.55 -25.15 38.79 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.929 0.871 . . . . 0.0 109.538 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.604 ' HB3' HD21 ' B' ' 9' ' ' ASN . 1.7 mm? -86.1 -37.3 18.96 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.16 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -85.37 -22.43 28.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.707 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.974 HG21 HD13 ' B' ' 32' ' ' LEU . 8.1 tt -54.38 -51.22 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-O 122.215 1.007 . . . . 0.0 109.499 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.732 ' HB2' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -100.02 -8.72 23.51 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.523 -1.672 . . . . 0.0 108.912 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' THR . 5.2 m120 63.19 27.63 15.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 3.0 m120 62.43 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.221 0.534 . . . . 0.0 111.345 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.869 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -57.29 -19.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.844 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.3 ptm180 -62.21 -58.1 9.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -77.6 -30.19 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.325 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.786 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.8 tt -62.09 -52.25 64.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.198 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 22' ' ' LEU . 11.9 tpt180 -45.54 -32.51 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.96 -47.02 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 112.14 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.786 HE21 ' HA ' ' B' ' 13' ' ' LEU . 22.3 pt20 -64.73 -35.51 81.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.711 0.767 . . . . 0.0 109.475 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.52 -19.2 29.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.598 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.0 ttt180 -44.03 -30.95 0.8 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.237 0.542 . . . . 0.0 109.688 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -112.63 45.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.068 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 17' ' ' ALA . 47.4 t -168.53 162.68 12.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.064 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 23' ' ' GLU . 58.0 m -67.41 155.44 38.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -60.77 -12.15 9.78 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 44.0 tt0 -39.27 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.759 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -53.71 -36.59 62.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.942 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -72.88 -45.09 60.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.241 178.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.928 ' H ' HD12 ' B' ' 25' ' ' LEU . 12.2 pt-20 -60.4 -19.68 56.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.3 tp10 -83.79 -58.21 2.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.611 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 58.5 mtt -90.13 -45.62 9.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.641 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.876 HD12 HD23 ' A' ' 32' ' ' LEU . 31.8 tp -61.44 -27.03 68.27 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.147 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.681 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 38.9 tt0 -75.26 -32.68 61.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.656 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.7 mmtp -87.37 -27.94 22.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.96 0.886 . . . . 0.0 109.576 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.041 HD11 ' HA ' ' A' ' 33' ' ' GLU . 25.5 tp -67.87 -24.76 65.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.698 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.98 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.11 -36.52 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 178.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.667 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.8 m -68.89 -35.48 69.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.91 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.729 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 4.7 m -54.93 -53.33 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -74.38 -27.22 21.16 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 120.344 -0.543 . . . . 0.0 111.015 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 33.9 t30 -49.19 -41.38 36.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.167 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -77.98 -41.93 34.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.842 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.538 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 22.6 mmm180 -54.23 -38.1 65.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -87.53 -47.05 9.04 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.543 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -88.25 -44.85 10.54 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.915 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.6 tm-20 -59.48 -47.7 84.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.074 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -54.76 -34.19 62.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.05 -42.16 89.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.889 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.744 179.392 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.2 tt0 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 120.797 0.332 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -75.21 -23.07 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.027 0.918 . . . . 0.0 110.23 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -81.94 -44.44 16.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.916 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.66 -23.38 34.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.83 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.89 -49.42 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.661 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -100.34 -11.16 20.52 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.22 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 65.67 28.86 11.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.542 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.6 m120 61.81 129.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.841 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -61.5 -27.58 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.87 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.3 ptp180 -49.67 -50.75 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.281 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 99.1 m -83.43 -33.78 25.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.845 ' HA ' HE21 ' A' ' 16' ' ' GLN . 2.2 tp -63.06 -61.56 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.656 ' HA ' HD11 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -46.19 -25.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 -177.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.5 7.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.01 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.845 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.6 pt20 -63.0 -36.55 83.92 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 109.768 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.587 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.26 -19.56 29.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.549 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.6 tpt180 -43.5 -30.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.2 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.83 36.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.508 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' ALA . 68.7 m -164.35 -165.41 0.96 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.981 0.42 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 23' ' ' GLU . 64.1 m -87.67 155.29 20.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.222 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.065 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.9 -13.78 27.97 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.481 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 24.8 pt-20 -39.67 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 111.401 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 HD13 ' A' ' 13' ' ' LEU . 93.8 m -51.91 -36.94 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.065 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -72.45 -44.03 62.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.934 ' H ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -59.42 -21.0 59.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 5.4 tp10 -84.05 -56.32 3.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.607 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -89.7 -47.79 7.7 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 HD23 ' B' ' 32' ' ' LEU . 41.5 tp -59.57 -22.52 61.87 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.124 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 34' ' ' VAL . 39.9 tt0 -79.36 -31.94 43.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.189 0.519 . . . . 0.0 110.5 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.666 ' HA ' HG22 ' A' ' 34' ' ' VAL . 54.2 mmtt -87.08 -28.86 22.29 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.733 0.777 . . . . 0.0 109.763 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.05 HD23 HD12 ' B' ' 29' ' ' LEU . 23.6 tp -68.93 -24.8 64.32 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.521 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.823 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.7 pt-20 -84.48 -34.6 23.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.9 m -71.8 -36.98 60.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.174 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.696 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m -56.06 -49.38 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -81.72 -18.23 11.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.009 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 34.1 t30 -59.12 -41.77 88.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.71 -42.66 60.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.378 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.148 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.77 -32.26 71.88 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.572 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.892 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.2 mmm180 -64.51 -44.9 89.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -85.54 -27.68 25.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.051 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -82.31 -39.65 22.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.603 0.24 . . . . 0.0 111.632 -178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.051 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.4 mm-40 -60.05 -48.59 81.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 93.1 p -56.33 -33.28 65.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -71.69 -39.93 69.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.441 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 . . . . . 0 C--O 1.225 -0.196 0 CA-C-O 120.79 0.329 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.8 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.81 -24.87 58.71 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.029 0.919 . . . . 0.0 110.431 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.4 OUTLIER -83.18 -43.95 15.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.438 -179.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.29 -24.18 32.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 32' ' ' LEU . 2.9 tt -54.72 -45.82 73.53 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.683 0.754 . . . . 0.0 109.81 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.28 -11.45 16.5 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.525 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 65.46 32.72 9.32 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.073 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 61.81 126.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.03 -29.69 22.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.856 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 36.2 ptt180 -54.79 -51.07 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 98.2 m -75.38 -34.51 61.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.812 HD21 HD22 ' A' ' 25' ' ' LEU . 6.9 tp -61.75 -59.74 4.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.471 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 37.3 ttt85 -45.42 -26.57 0.57 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.541 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.39 -51.29 6.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.048 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 13.3 pt20 -63.68 -35.45 80.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.622 0.725 . . . . 0.0 110.239 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.69 -19.8 28.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.635 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.61 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -42.84 -30.3 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.255 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -98.82 37.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.528 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 17' ' ' ALA . 62.0 m -163.41 -165.22 1.03 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.482 HG22 ' N ' ' B' ' 22' ' ' LEU . 47.7 m -95.87 160.22 14.58 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 1.021 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -59.0 -13.92 7.93 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.692 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.609 ' HA ' ' HG2' ' B' ' 26' ' ' GLU . 88.2 tt0 -40.28 -26.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 13' ' ' LEU . 5.1 t -54.29 -38.22 65.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.034 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.021 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -72.33 -45.07 61.56 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.945 ' H ' HD12 ' B' ' 25' ' ' LEU . 15.6 pt-20 -58.65 -20.8 51.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.1 tp10 -83.18 -58.82 2.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.666 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.9 mtt -89.92 -44.7 9.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 32' ' ' LEU . 35.8 tp -59.3 -35.51 73.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 18.0 tp10 -66.97 -31.19 71.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.676 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -83.15 -28.06 29.66 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.803 0.811 . . . . 0.0 109.352 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.951 HD13 HG21 ' B' ' 6' ' ' ILE . 17.9 tp -68.25 -25.35 65.13 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.618 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.002 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.26 -37.18 18.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.728 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.676 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.4 m -68.01 -35.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 32' ' ' LEU . 13.1 p -56.56 -42.57 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.681 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -85.19 -20.63 8.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.915 177.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 33.4 t30 -53.72 -36.1 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -84.27 -45.52 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.268 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.051 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.5 -53.49 22.92 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 36' ' ' VAL . 18.7 mmm180 -48.55 -40.38 26.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.664 0.269 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -84.27 -39.46 19.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -78.58 -38.62 39.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.753 -178.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.148 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.1 mm-40 -58.17 -46.96 84.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.55 -35.16 69.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.68 -40.55 84.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.272 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.403 179.472 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.531 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 43.5 tp10 . . . . . 0 C--O 1.227 -0.12 0 CA-C-O 120.803 0.335 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -76.56 -22.29 54.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.739 HD11 ' ND2' ' B' ' 37' ' ' ASN . 0.3 OUTLIER -85.53 -45.39 11.83 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.317 -178.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -82.31 -22.61 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.824 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.783 HG21 HD13 ' A' ' 32' ' ' LEU . 5.3 tt -54.09 -52.58 35.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-O 121.925 0.869 . . . . 0.0 109.737 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.911 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -99.59 -10.39 22.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.887 -1.506 . . . . 0.0 108.856 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.32 32.55 14.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.058 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 60.22 128.91 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.69 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.703 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -55.5 -24.49 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 179.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.5 ptp180 -63.82 -53.07 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.406 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 93.7 m -74.28 -36.17 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.372 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.625 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 6.2 tt -63.62 -50.7 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.678 ' HD2' HD21 ' B' ' 22' ' ' LEU . 34.0 tpt85 -46.68 -33.36 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.34 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.96 -49.87 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.403 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.625 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.6 pt20 -63.78 -34.71 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.574 0.702 . . . . 0.0 110.055 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.59 27.81 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 80.3 ttt180 -44.05 -29.46 0.6 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -103.27 41.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.209 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.3 m -156.96 -144.11 0.13 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 22' ' ' LEU . 32.6 m -126.13 164.28 21.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.668 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.933 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.32 -15.5 16.51 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.51 0.195 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -41.87 -24.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.261 0.553 . . . . 0.0 110.126 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 13' ' ' LEU . 87.0 m -53.95 -39.02 65.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.958 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -72.11 -47.18 53.13 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 1.009 ' H ' HD12 ' A' ' 25' ' ' LEU . 11.6 pt-20 -56.22 -23.72 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.8 tt0 -83.65 -54.33 5.0 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.06 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -89.48 -46.96 8.31 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.009 ' HG ' HD22 ' B' ' 7' ' ' LEU . 30.1 tp -54.98 -41.88 71.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' O ' HG13 ' A' ' 34' ' ' VAL . 34.8 tt0 -62.36 -31.66 72.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.1 mmtp -87.67 -31.96 19.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.652 0.739 . . . . 0.0 110.041 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.049 HD11 ' HA ' ' B' ' 33' ' ' GLU . 23.3 tp -69.11 -24.18 64.09 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.892 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.925 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.52 -38.87 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.351 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 31' ' ' LYS . 29.1 m -69.21 -36.92 75.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.0 m -55.98 -50.8 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.8 p -79.29 -19.11 12.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.674 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.9 t30 -61.21 -47.38 86.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.6 -42.08 83.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 1.004 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -71.87 -26.87 62.52 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.258 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 36' ' ' VAL . 1.2 mmm180 -66.75 -43.55 83.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -84.94 -26.9 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.686 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.041 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 12.6 mm-40 -62.53 -47.75 82.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -54.9 -33.33 61.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.55 -45.94 70.8 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.376 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.862 179.654 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.582 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 . . . . . 0 C--O 1.225 -0.236 0 CA-C-O 120.577 0.227 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.28 -27.09 60.57 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.573 ' HB3' HD21 ' B' ' 9' ' ' ASN . 0.9 OUTLIER -84.11 -44.56 13.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.407 -178.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.506 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 19.4 tptm -79.54 -26.04 41.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.849 HG21 HD13 ' B' ' 32' ' ' LEU . 2.6 tt -54.84 -46.12 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.529 0.68 . . . . 0.0 109.937 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 1.009 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.44 -11.55 16.38 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.628 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.506 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 66.0 m-80 67.48 30.51 6.76 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.6 m120 62.19 127.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.2 -22.59 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' B' ' 12' ' ' THR . 15.4 ptp180 -63.57 -54.27 38.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.566 HG23 ' HG3' ' B' ' 11' ' ' ARG . 16.1 p -74.59 -37.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.176 0.512 . . . . 0.0 110.275 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.693 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.16 -51.85 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.644 ' HD2' HD21 ' A' ' 22' ' ' LEU . 35.9 tpt85 -46.97 -33.18 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.85 -49.54 8.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.693 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.5 pt20 -64.85 -33.83 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.064 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.97 27.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.525 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.7 ttt180 -43.1 -29.79 0.39 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -105.02 43.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.3 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.2 m -157.58 -145.54 0.15 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.468 HG22 ' N ' ' B' ' 22' ' ' LEU . 41.7 m -126.31 160.27 30.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.687 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.905 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -58.28 -16.09 12.77 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.604 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.503 ' N ' HD23 ' B' ' 22' ' ' LEU . 43.9 tt0 -41.41 -27.33 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.065 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 25' ' ' LEU . 4.7 t -55.65 -42.83 75.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.338 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.922 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.2 pp -67.42 -44.1 79.62 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.196 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' B' ' 25' ' ' LEU . 79.1 tt0 -54.27 -27.07 32.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.68 -50.74 7.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.06 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.5 mtt -88.8 -48.32 7.58 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.911 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.9 tp -53.75 -38.23 64.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.131 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 34.3 tt0 -64.18 -34.15 77.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.964 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.7 mmtp -86.32 -27.32 24.39 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.407 0.622 . . . . 0.0 110.15 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.6 tp -70.33 -26.1 63.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.762 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 1.049 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.0 pt-20 -85.03 -39.06 18.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.991 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.783 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.3 m -70.85 -38.44 72.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.052 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.772 HG22 HG21 ' A' ' 36' ' ' VAL . 8.7 p -55.78 -47.23 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.2 p -83.76 -19.31 9.61 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.137 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.739 ' ND2' HD11 ' A' ' 4' ' ' LEU . 32.0 t-20 -52.64 -43.17 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.67 -40.45 69.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.85 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.041 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.07 -51.96 33.41 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.142 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.82 ' HG2' HG22 ' B' ' 36' ' ' VAL . 6.5 mmm180 -48.19 -40.14 23.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.599 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.2 -39.61 16.45 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -80.94 -42.5 21.21 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 1.004 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 17.9 mm-40 -58.63 -47.79 83.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.667 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -56.06 -33.53 65.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -68.19 -43.87 77.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.299 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.615 179.485 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.621 ' N ' HD23 ' A' ' 4' ' ' LEU . 47.4 t . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.9 tt0 -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.4 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.06 -22.9 44.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.793 0.806 . . . . 0.0 110.506 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' B' ' 33' ' ' GLU . 2.1 mm? -84.52 -46.19 11.85 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.384 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.23 -23.66 37.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.242 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 32' ' ' LEU . 9.1 tt -53.85 -50.8 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 122.087 0.946 . . . . 0.0 109.876 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.893 HD13 HD21 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -102.73 -9.72 19.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.911 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.554 ' O ' HG22 ' A' ' 12' ' ' THR . 0.7 OUTLIER 60.75 25.78 15.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.509 -179.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.67 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.1 m120 67.5 128.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.989 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -52.16 -26.69 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.383 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.4 ptt180 -52.64 -50.1 63.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.634 0.254 . . . . 0.0 111.596 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 8' ' ' ASN . 15.0 t -84.34 -33.96 23.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.719 0.295 . . . . 0.0 111.63 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.668 ' HA ' HE21 ' A' ' 16' ' ' GLN . 4.8 tt -61.68 -57.73 10.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.413 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.827 ' HG3' HD21 ' B' ' 22' ' ' LEU . 73.5 ttt180 -48.48 -27.72 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 111.462 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 -50.13 7.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.116 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.668 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.9 pt20 -64.48 -33.51 76.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.49 0.662 . . . . 0.0 109.865 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -85.98 -22.56 27.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.389 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.4 ttt-85 -43.98 -31.41 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -94.8 35.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.42 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' ALA . 81.2 p -168.49 -162.83 0.42 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.944 0.402 . . . . 0.0 111.622 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.672 HG22 ' H ' ' A' ' 23' ' ' GLU . 86.0 m -89.04 155.43 19.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.317 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.115 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -60.86 -12.7 11.82 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.672 ' H ' HG22 ' A' ' 21' ' ' THR . 89.2 tt0 -39.17 -25.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.589 0.233 . . . . 0.0 110.797 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.596 HG21 ' HB2' ' A' ' 17' ' ' ALA . 70.1 p -50.8 -40.33 55.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.115 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.64 -43.78 75.57 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.872 178.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.934 ' HA ' HG21 ' B' ' 10' ' ' ILE . 27.8 tt0 -57.58 -23.62 51.7 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.7 tp10 -83.95 -54.17 5.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.748 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.4 mtt -90.24 -46.78 8.2 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.905 HD21 HD13 ' B' ' 7' ' ' LEU . 15.3 tp -61.26 -40.76 95.28 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.476 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.714 ' O ' HG13 ' A' ' 34' ' ' VAL . 81.2 tt0 -62.76 -34.88 78.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.909 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.692 ' HA ' HG22 ' A' ' 34' ' ' VAL . 66.4 mmtt -86.5 -26.56 24.53 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.685 0.755 . . . . 0.0 109.727 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.99 HD11 ' HA ' ' B' ' 33' ' ' GLU . 53.4 tp -69.67 -24.86 63.67 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.065 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -86.21 -35.84 19.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.407 178.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 30' ' ' GLU . 12.4 m -70.18 -36.5 68.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.754 HG22 HG21 ' B' ' 36' ' ' VAL . 7.5 p -59.92 -50.8 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.2 p -75.72 -18.95 15.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.777 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' ND2' HD11 ' B' ' 4' ' ' LEU . 30.4 t-20 -57.36 -48.43 79.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.42 -42.95 82.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.315 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.085 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.01 -30.87 69.35 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.359 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.867 ' HG2' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -65.91 -43.84 86.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.94 -28.62 27.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.429 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 52.1 mt-10 -86.6 -39.74 15.85 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.058 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.7 mm-40 -62.3 -45.34 93.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.753 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.4 -33.96 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.23 -44.19 72.53 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.47 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -62.23 -39.55 93.2 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.786 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.02 94.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.44 86.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -63.51 -48.21 78.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.355 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 46' ' ' ALA . 34.8 m -66.25 -38.38 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.338 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 52' ' ' GLU . 88.2 tt0 60.22 -112.4 0.55 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' N ' ' HG2' ' A' ' 51' ' ' GLU . 44.0 tp10 -167.86 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -65.24 -48.37 73.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -67.39 137.24 55.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -174.99 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 56.99 43.84 23.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.96 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.626 ' N ' HD23 ' B' ' 4' ' ' LEU . 47.3 t . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.767 0.317 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.502 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 -76.6 -31.31 57.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.366 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.02 -22.98 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.891 0.853 . . . . 0.0 110.543 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.769 HD13 ' OE1' ' A' ' 33' ' ' GLU . 2.0 mm? -84.44 -46.2 11.91 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.403 -1.272 . . . . 0.0 110.429 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -81.32 -23.54 37.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.217 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.754 HG21 HD13 ' B' ' 32' ' ' LEU . 9.1 tt -53.88 -50.95 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-O 122.095 0.95 . . . . 0.0 109.75 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.905 HD13 HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -102.69 -9.57 19.94 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 113.71 -1.587 . . . . 0.0 108.964 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.559 ' O ' HG22 ' B' ' 12' ' ' THR . 0.7 OUTLIER 60.68 25.64 15.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.582 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.675 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.1 m120 67.69 128.82 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -52.15 -26.7 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.362 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 12' ' ' THR . 38.3 ptt180 -52.74 -50.02 64.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.617 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.559 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -84.28 -34.1 23.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.612 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.679 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.8 tt -61.71 -57.6 11.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.435 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.829 ' HG3' HD21 ' A' ' 22' ' ' LEU . 73.5 ttt180 -48.54 -27.67 2.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.789 0.328 . . . . 0.0 111.415 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.44 -50.33 7.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.141 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -64.29 -33.61 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.541 0.686 . . . . 0.0 109.909 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -85.91 -22.64 27.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.35 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.3 ttt-85 -43.96 -31.39 0.88 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.75 35.49 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.414 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.41 ' N ' ' O ' ' B' ' 17' ' ' ALA . 82.1 p -168.44 -162.8 0.42 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.889 0.376 . . . . 0.0 111.717 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.67 HG22 ' H ' ' B' ' 23' ' ' GLU . 86.2 m -89.07 155.46 19.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.5 OUTLIER -60.94 -12.76 12.31 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.296 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.67 ' H ' HG22 ' B' ' 21' ' ' THR . 89.2 tt0 -39.01 -25.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.591 HG21 ' HB2' ' B' ' 17' ' ' ALA . 69.7 p -50.85 -40.4 55.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -68.47 -43.93 75.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.91 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 27.8 tt0 -57.56 -23.57 51.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.7 tp10 -84.04 -54.08 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.739 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 64.5 mtt -90.34 -46.64 8.26 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.893 HD21 HD13 ' A' ' 7' ' ' LEU . 15.3 tp -61.26 -40.88 95.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.466 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.702 ' O ' HG13 ' B' ' 34' ' ' VAL . 81.3 tt0 -62.7 -34.78 77.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.702 ' HA ' HG22 ' B' ' 34' ' ' VAL . 66.4 mmtt -86.64 -26.45 24.35 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.651 0.739 . . . . 0.0 109.75 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.986 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 53.5 tp -69.75 -24.72 63.57 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.157 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.99 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.31 -35.85 19.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.336 178.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.702 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.6 m -70.25 -36.54 67.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.735 HG22 HG21 ' A' ' 36' ' ' VAL . 7.4 p -59.77 -50.89 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.2 p -75.66 -18.97 15.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.741 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.525 ' ND2' HD11 ' A' ' 4' ' ' LEU . 30.2 t-20 -57.42 -48.39 79.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.53 -42.8 82.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.366 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.058 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.1 -30.72 69.07 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.357 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' B' ' 36' ' ' VAL . 0.3 OUTLIER -66.16 -43.66 86.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.513 -179.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.95 -28.71 27.62 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.43 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.603 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 52.1 mt-10 -86.53 -39.87 15.81 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.085 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.7 mm-40 -62.2 -45.36 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.758 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -56.39 -33.9 66.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.22 -44.31 72.32 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.463 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.425 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -62.08 -39.65 93.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.2 94.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.4 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -63.55 -48.26 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.379 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 46' ' ' ALA . 34.8 m -66.24 -38.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.393 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' B' ' 52' ' ' GLU . 88.3 tt0 60.21 -112.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.513 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' B' ' 51' ' ' GLU . 43.7 tp10 -167.89 -47.3 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.758 0.313 . . . . 0.0 110.826 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.28 -48.31 73.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.871 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -67.42 137.26 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -174.96 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 57.0 43.85 23.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.989 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.569 ' HB2' HD22 ' A' ' 4' ' ' LEU . 80.5 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 86.6 tt0 -79.06 -26.45 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -74.79 -22.02 58.98 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.925 0.869 . . . . 0.0 109.914 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 1' ' ' SER . 0.9 OUTLIER -84.11 -44.45 14.03 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.776 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 45.4 tptt -80.1 -25.02 40.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.982 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.49 -56.7 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-O 121.71 0.767 . . . . 0.0 109.058 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.18 -11.67 37.68 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.537 179.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.457 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 20.0 t-20 64.06 34.95 10.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.428 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.539 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.5 m120 59.01 129.09 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.764 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.918 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.8 -28.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.929 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.0 ptp180 -58.48 -52.9 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 98.5 m -73.15 -34.11 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.291 0.567 . . . . 0.0 110.58 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.978 HD21 HD22 ' B' ' 25' ' ' LEU . 6.1 tp -62.01 -60.19 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.427 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.849 ' HG3' HD21 ' B' ' 22' ' ' LEU . 72.5 ttt180 -45.62 -24.92 0.39 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.759 0.314 . . . . 0.0 111.386 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.17 -50.12 7.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.607 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 12.2 pt20 -66.17 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.38 0.61 . . . . 0.0 110.117 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.52 -20.48 27.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.404 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 41.1 ttt85 -43.92 -29.76 0.61 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.516 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.0 39.64 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.485 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -163.5 -166.6 1.25 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.961 0.41 . . . . 0.0 111.456 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.501 HG22 ' N ' ' A' ' 22' ' ' LEU . 38.7 m -96.92 162.2 13.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.683 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.091 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.39 -15.34 10.28 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.515 0.198 . . . . 0.0 110.586 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -40.49 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.559 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 13' ' ' LEU . 5.2 t -52.22 -43.03 64.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.891 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 22' ' ' LEU . 1.2 pp -68.11 -42.81 79.7 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.7 tm-20 -54.17 -26.62 28.92 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 50.5 mt-10 -83.19 -48.97 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.837 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.471 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 20.5 mmt -89.27 -49.93 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.963 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.837 ' HG ' HD22 ' B' ' 7' ' ' LEU . 61.8 tp -56.0 -36.56 68.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.409 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 34' ' ' VAL . 42.4 tt0 -69.43 -33.25 72.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.531 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 34' ' ' VAL . 60.0 mmtt -87.45 -32.23 19.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.721 0.772 . . . . 0.0 110.215 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.982 HD13 HG21 ' A' ' 6' ' ' ILE . 23.0 tp -67.44 -23.49 65.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.755 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.8 pt-20 -85.32 -40.78 16.16 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.049 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.8 m -68.62 -37.09 77.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.244 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.677 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 6.4 p -56.02 -47.6 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.766 HG22 ' HG2' ' A' ' 40' ' ' ARG . 8.0 p -83.48 -20.37 9.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.007 178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 31.2 t30 -56.5 -38.77 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.9 -41.79 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.049 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.831 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.79 -49.92 23.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.417 0.627 . . . . 0.0 110.53 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.766 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.9 mmt-85 -47.04 -39.01 11.95 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -87.15 -54.84 4.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -88.51 -39.35 14.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.831 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 66.2 mm-40 -72.85 -42.67 63.47 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.869 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -55.14 -33.66 63.09 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.43 -43.93 97.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.298 -1.319 . . . . 0.0 109.215 177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.55 86.37 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.829 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.89 89.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.478 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -58.96 -40.08 83.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.219 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 51' ' ' GLU . 17.5 tp10 -58.95 -44.27 91.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.03 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 48' ' ' ALA . 60.1 t 71.45 -56.13 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.669 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 51.6 mt-10 59.59 -144.99 0.53 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.708 ' HG2' ' HG3' ' A' ' 53' ' ' ARG . 39.2 tt0 62.74 131.01 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.708 ' HG3' ' HG2' ' A' ' 52' ' ' GLU . 77.0 mtp180 72.89 -40.06 0.46 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.692 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.1 p -55.88 133.83 51.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.803 0.335 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -67.76 -139.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.66 -42.68 99.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.07 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' C ' HD13 ' A' ' 57' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.527 ' N ' HD23 ' B' ' 4' ' ' LEU . 47.0 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.579 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.2 tp10 -76.21 -26.31 55.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.326 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -86.05 -24.42 26.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.689 0.756 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.627 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.4 mm? -86.29 -42.05 14.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.913 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -83.31 -23.5 32.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.753 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.735 HG21 HD13 ' B' ' 32' ' ' LEU . 6.0 tt -53.92 -50.93 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.856 0.836 . . . . 0.0 109.637 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.837 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -101.75 -4.61 26.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.122 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 50.97 37.29 17.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.257 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.52 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.5 m120 62.82 130.01 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.13 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.845 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.34 -31.32 26.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.567 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -55.51 -50.59 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.434 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.8 m -72.67 -35.69 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.764 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.2 tp -62.8 -59.54 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.508 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' B' ' 18' ' ' ARG . 75.8 mtp180 -43.6 -27.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.034 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.671 ' HA ' ' HG2' ' B' ' 18' ' ' ARG . . . -83.72 -49.34 9.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.826 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.764 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -66.81 -25.61 66.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.399 0.618 . . . . 0.0 110.008 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -85.6 -18.87 32.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.583 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.671 ' HG2' ' HA ' ' B' ' 15' ' ' ALA . 23.7 mmm180 -39.87 -31.05 0.1 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.193 0.52 . . . . 0.0 109.688 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.82 49.08 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.131 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 17' ' ' ALA . 46.7 t -173.33 152.6 2.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.559 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.4 m -72.36 167.68 19.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.941 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -56.73 -14.97 3.77 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.767 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -40.31 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.611 0.243 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.662 HG21 HD11 ' B' ' 13' ' ' LEU . 4.7 t -53.92 -42.18 68.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.238 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.978 HD22 HD21 ' A' ' 13' ' ' LEU . 1.1 pp -68.27 -43.44 77.79 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 110.113 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.924 ' H ' HD12 ' B' ' 25' ' ' LEU . 37.6 tt0 -58.22 -23.77 56.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.1 tt0 -83.87 -53.33 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.634 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 21.2 mmt -89.85 -49.22 6.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.373 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.975 HD12 HD23 ' A' ' 32' ' ' LEU . 22.1 tp -60.84 -33.99 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.533 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 34' ' ' VAL . 32.2 tt0 -66.61 -33.46 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -85.3 -28.34 25.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.739 0.78 . . . . 0.0 109.533 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.895 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 17.4 tp -64.73 -26.61 68.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.579 178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.953 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.2 pt-20 -85.67 -39.45 17.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.696 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' B' ' 31' ' ' LYS . 14.2 m -65.12 -34.59 71.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.807 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 27.5 m -55.84 -45.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.672 ' HA ' ' HB2' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -81.44 -20.35 10.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.522 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.9 t-20 -53.61 -36.58 62.13 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -82.11 -44.2 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.227 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.931 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.4 -56.27 7.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.902 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.644 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmt180 -46.65 -38.85 10.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.492 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -86.11 -50.81 6.74 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.4 tt0 -88.75 -42.57 11.86 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.931 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 44.4 mm-40 -70.25 -45.04 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.93 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -55.12 -33.27 62.72 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.8 -43.28 96.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.497 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.75 91.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.26 73.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.56 91.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.65 -44.2 85.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.607 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 59.5 t 64.98 137.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -161.02 138.23 9.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.98 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -171.0 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.708 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' B' ' 53' ' ' ARG . 33.9 ptt85 -172.61 40.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 71.4 p -80.98 36.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.577 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 52.76 -143.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -67.36 -48.09 68.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.846 0.355 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.483 ' C ' HD13 ' B' ' 57' ' ' LEU . 3.1 tm? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.861 ' HA ' HD23 ' A' ' 4' ' ' LEU . 52.2 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.934 0.397 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 5.5 tp10 -81.16 -30.32 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.59 -26.6 45.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 122.105 0.955 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -84.59 -40.71 17.2 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.303 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 44.9 tptt -76.19 -36.35 58.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.86 -53.42 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 122.523 1.154 . . . . 0.0 108.548 179.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' B' ' 33' ' ' GLU . 2.3 tt -75.18 -27.06 59.5 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.933 -1.94 . . . . 0.0 108.741 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' THR . 6.2 m120 66.15 6.19 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.607 ' CA ' HD22 ' A' ' 7' ' ' LEU . 71.6 m-80 67.98 124.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.007 -1.451 . . . . 0.0 111.399 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.046 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -50.03 -27.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.639 -1.164 . . . . 0.0 112.509 -179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 34.0 ptt85 -53.79 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.24 . . . . 0.0 111.343 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 8' ' ' ASN . 13.2 t -86.98 -29.79 21.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 111.042 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.836 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.6 tt -61.72 -60.3 3.87 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.649 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 68.9 mtp180 -44.89 -31.86 1.4 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.946 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.43 13.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.728 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 13' ' ' LEU . 24.9 pt20 -63.71 -35.85 81.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.76 0.791 . . . . 0.0 109.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.4 -20.88 27.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.636 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 53.5 ttt-85 -44.82 -32.07 1.44 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.37 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -91.63 31.91 1.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.432 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 58.7 m -164.69 -162.85 0.68 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 111.319 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.2 m -92.05 160.72 15.09 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.01 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -59.67 -13.98 12.02 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.438 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' HD23 ' A' ' 22' ' ' LEU . 2.1 pp20? -39.91 -25.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.63 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.515 HG21 HD21 ' A' ' 13' ' ' LEU . 5.0 t -51.0 -42.2 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.01 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.8 -41.81 78.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.926 ' N ' HD12 ' A' ' 25' ' ' LEU . 81.7 tt0 -55.8 -24.5 36.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 tt0 -84.27 -53.64 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.02 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -88.96 -46.59 8.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.112 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD12 HD23 ' B' ' 32' ' ' LEU . 38.6 tp -60.67 -23.06 64.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.719 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -78.0 -32.45 51.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.813 ' HA ' HG22 ' A' ' 34' ' ' VAL . 26.1 mmtp -86.62 -33.61 20.09 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.692 0.758 . . . . 0.0 109.866 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.995 HD11 ' HA ' ' B' ' 33' ' ' GLU . 12.0 tp -64.66 -25.5 67.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.195 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.966 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.99 -43.87 13.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.771 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 31' ' ' LYS . 27.1 m -64.64 -31.76 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.498 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.782 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 26.9 m -56.43 -45.14 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.685 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -76.28 -35.15 27.0 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.837 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 51.6 t30 -42.83 -39.53 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.51 -46.01 34.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.519 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.822 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.09 -52.34 14.64 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 121.116 0.484 . . . . 0.0 110.901 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 36' ' ' VAL . 22.0 mmm180 -43.13 -38.76 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.14 -0.35 . . . . 0.0 110.347 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.49 -45.34 11.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.5 mm-40 -84.8 -43.9 13.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.956 0.408 . . . . 0.0 112.029 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.036 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.2 tm-20 -55.96 -47.84 76.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -55.85 -36.14 67.21 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.08 -40.58 90.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.984 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.91 95.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.418 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -59.01 -40.21 84.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.39 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.51 -32.57 42.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.577 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.84 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.819 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 47' ' ' ALA . 24.5 m -73.8 57.67 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 112.018 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.48 144.81 24.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -136.43 -41.32 0.63 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 4.5 tmm_? -58.86 -46.17 88.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.3 p -60.86 129.47 41.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.514 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' H ' ' HD2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -66.16 139.38 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.601 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -170.8 54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 110.52 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.917 -179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.455 ' H1 ' HD22 ' B' ' 4' ' ' LEU . 46.8 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.816 0.341 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.556 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 -75.8 -38.99 57.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.718 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -79.04 -19.98 50.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.9 OUTLIER -82.22 -43.14 18.02 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.915 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.725 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.7 tmtt? -84.7 -23.17 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.965 HG21 HD13 ' B' ' 32' ' ' LEU . 3.7 tt -52.99 -45.47 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.586 0.708 . . . . 0.0 109.418 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.705 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -105.11 -9.27 17.9 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.59 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.35 34.39 13.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.575 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 62.2 126.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.78 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -53.38 -28.72 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.462 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.581 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.3 ptt180 -59.4 -48.32 82.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.3 m -79.8 -39.92 29.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.59 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 tt -64.18 -53.52 48.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.473 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.838 ' HG2' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -48.59 -29.32 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.15 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' B' ' 18' ' ' ARG . . . -86.24 -50.88 6.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.659 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.1 pt20 -63.45 -32.68 74.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.525 0.678 . . . . 0.0 109.969 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.61 -24.09 27.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.256 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 53.1 ttt-85 -46.05 -32.09 2.65 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -84.26 26.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -161.81 -155.35 0.38 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.369 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 23' ' ' GLU . 49.0 m -96.32 158.35 15.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.002 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -60.83 -13.33 14.73 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.437 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.453 ' H ' HG22 ' B' ' 21' ' ' THR . 43.3 tt0 -40.03 -25.38 0.02 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.624 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -51.74 -37.95 53.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.33 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.002 HD21 HD12 ' B' ' 22' ' ' LEU . 0.7 OUTLIER -67.73 -44.51 77.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.125 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 1.046 ' HA ' HG21 ' A' ' 10' ' ' ILE . 26.0 tt0 -58.65 -21.69 54.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.8 tp10 -82.97 -56.17 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.721 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.3 mmt -90.93 -45.87 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.94 HD12 HD23 ' A' ' 32' ' ' LEU . 44.3 tp -62.67 -40.65 97.75 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.992 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' B' ' 26' ' ' GLU . 40.4 tt0 -62.3 -32.6 73.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 111.082 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.5 mmtp -86.09 -25.13 26.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.594 0.711 . . . . 0.0 109.095 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.966 HD11 ' HA ' ' A' ' 33' ' ' GLU . 17.0 tp -67.8 -26.48 66.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.798 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.995 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.3 pt-20 -83.84 -38.56 21.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.97 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' B' ' 31' ' ' LYS . 26.2 m -72.08 -38.17 62.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.3 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.519 HG12 ' C ' ' B' ' 32' ' ' LEU . 7.2 p -55.97 -48.94 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.772 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.5 p -79.36 -32.52 14.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.755 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 33.7 t30 -42.72 -43.16 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 109.717 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.27 -42.45 93.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.749 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.036 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.11 -49.73 22.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.567 179.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.772 ' HG2' HG22 ' B' ' 36' ' ' VAL . 7.1 mmm180 -45.06 -41.39 7.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.861 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 42' ' ' GLU . 16.8 pt-20 -88.06 -46.53 9.25 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.626 ' HG3' ' HG3' ' B' ' 41' ' ' GLU . 55.8 mt-10 -87.27 -43.97 11.78 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.822 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 25.4 tp10 -59.56 -45.8 90.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.786 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -57.97 -35.54 71.31 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.31 -41.61 96.75 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.998 178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.563 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . . . -62.64 -41.97 99.34 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.398 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.48 78.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.769 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.68 -45.32 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.491 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.563 ' HG3' ' HA ' ' B' ' 46' ' ' ALA . 0.9 OUTLIER -76.42 0.01 21.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' B' ' 51' ' ' GLU . 12.7 p -45.94 -32.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.264 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 50' ' ' VAL . 88.1 tt0 67.61 132.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -179.71 50.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' B' ' 53' ' ' ARG . 51.5 ttt-85 -158.29 -38.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.751 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 71.3 p -53.34 144.84 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.98 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -75.29 40.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.163 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -68.7 134.26 49.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.658 0.266 . . . . 0.0 110.65 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.842 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.728 ' HA ' HD23 ' A' ' 4' ' ' LEU . 40.4 t . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.7 tt0 -80.16 -26.74 39.19 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.235 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.636 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -78.86 -26.73 44.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.918 0.866 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.728 HD23 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -84.89 -37.37 20.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.392 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.636 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -85.52 -27.39 25.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.18 -179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.845 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.67 -53.11 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.487 0.66 . . . . 0.0 109.617 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -95.64 -8.58 34.44 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.031 178.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 m120 62.76 28.65 16.58 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.749 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 3.7 m120 63.51 129.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.174 0.511 . . . . 0.0 111.68 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -59.69 -21.09 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.591 179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 39.0 ptt180 -60.19 -55.82 29.06 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 8' ' ' ASN . 14.8 t -78.74 -31.97 46.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 13' ' ' LEU . 5.8 tt -61.4 -46.07 91.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.227 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.654 ' HD2' HD21 ' B' ' 22' ' ' LEU . 24.4 tpt180 -43.14 -38.74 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.631 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . . . -87.25 -41.36 13.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.042 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 13' ' ' LEU . 5.5 tt0 -55.63 -42.02 74.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.027 0.917 . . . . 0.0 109.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . . . -88.41 -19.69 26.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . 29.3 tpt180 -44.34 -30.0 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.191 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -94.05 35.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.446 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' ALA . 80.8 p -169.7 -163.55 0.39 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.046 0.451 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 28.2 m -96.9 165.89 11.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.948 HD21 ' HG3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -59.81 -15.08 18.03 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.585 0.231 . . . . 0.0 110.485 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -40.48 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.784 0.326 . . . . 0.0 110.574 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.9 t -52.6 -42.08 64.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.979 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -66.69 -44.96 80.32 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.985 0.422 . . . . 0.0 110.083 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.979 ' H ' HD12 ' A' ' 25' ' ' LEU . 37.9 tt0 -54.33 -25.91 26.71 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.0 mm-40 -82.8 -52.72 6.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.969 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.6 mtt -88.93 -46.36 8.96 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.234 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 14.2 tp -52.6 -42.02 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.371 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 21.8 tp10 -64.06 -31.33 72.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.518 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.763 ' HA ' HG22 ' A' ' 34' ' ' VAL . 23.6 mmtp -85.19 -36.49 20.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.067 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.9 tp -66.63 -21.57 66.12 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.843 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.981 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -85.94 -44.02 12.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.312 179.109 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 31' ' ' LYS . 32.9 m -68.6 -34.99 68.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.184 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.799 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 7.3 p -55.92 -50.29 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 8.1 p -80.62 -19.47 11.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.117 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 52.1 t30 -54.61 -41.77 70.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 94.8 mt-10 -73.45 -42.41 62.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.197 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.005 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.75 -48.28 66.87 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.475 0.655 . . . . 0.0 110.889 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.791 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.3 mmm180 -48.19 -44.45 32.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.714 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ASN . 12.4 pt-20 -84.4 -35.26 23.24 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.6 tp10 -77.27 -39.6 47.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 111.59 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.997 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 24.0 mm-40 -59.61 -47.36 85.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -34.82 68.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.84 -41.48 82.9 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.464 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.06 93.63 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.925 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.62 70.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.353 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.49 -41.94 83.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.87 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 12.5 pt-20 -66.8 -44.77 80.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.856 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 51' ' ' GLU . 8.1 p -63.57 -48.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.652 0.263 . . . . 0.0 111.606 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 50' ' ' VAL . 55.1 mt-10 -83.01 129.02 34.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -151.65 -63.08 0.18 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.659 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -158.5 -46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 p -80.35 135.1 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 55' ' ' ARG . 41.6 mmt-85 -64.07 -36.97 85.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.776 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 27.2 tptp 62.66 47.11 4.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD23 ' H ' ' A' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.813 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.527 ' HA ' HD23 ' B' ' 4' ' ' LEU . 54.3 m . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.599 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 96.0 mt-10 -74.26 -28.43 61.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.226 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -71.52 -27.38 63.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.816 0.817 . . . . 0.0 110.401 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.564 ' N ' HD22 ' B' ' 4' ' ' LEU . 1.9 mm? -84.01 -41.98 16.68 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.417 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -85.06 -23.33 28.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.532 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.713 HG23 ' H ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -54.61 -60.63 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.53 -10.86 55.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.133 178.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 61.02 33.99 19.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.672 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 3.3 m120 61.65 127.24 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.573 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.783 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -58.25 -28.18 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.28 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 38.0 ptt180 -59.74 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.992 0.425 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 95.3 m -78.01 -38.24 45.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.072 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.641 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.2 tt -62.54 -52.83 61.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.307 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.948 ' HG3' HD21 ' A' ' 22' ' ' LEU . 43.3 ttt-85 -47.5 -31.51 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.352 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.75 -50.16 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 12.2 pt20 -62.42 -33.97 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.492 0.663 . . . . 0.0 109.837 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.73 -23.92 27.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.216 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.9 tpt180 -45.09 -31.57 1.43 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.013 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -85.2 29.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.419 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.2 p -165.12 -156.02 0.28 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.935 0.398 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.533 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.3 m -99.5 164.89 11.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.787 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.025 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.58 -14.09 11.94 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.542 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 16.7 pt-20 -40.04 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.468 ' N ' ' O ' ' B' ' 22' ' ' LEU . 4.1 t -52.29 -41.09 62.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.117 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.025 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -69.33 -45.14 70.19 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.151 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.935 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.8 tt0 -55.11 -25.12 29.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 24.3 tt0 -83.37 -54.03 5.29 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.193 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.06 -46.27 8.98 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 7' ' ' LEU . 43.9 tp -55.65 -39.23 70.62 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.561 ' O ' HG13 ' B' ' 34' ' ' VAL . 42.6 tt0 -65.17 -29.42 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.6 mmtp -87.43 -32.22 19.63 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.601 0.715 . . . . 0.0 109.737 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.981 HD11 ' HA ' ' A' ' 33' ' ' GLU . 40.9 tp -67.32 -23.63 65.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.764 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.122 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -85.64 -41.03 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.787 178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' B' ' 31' ' ' LYS . 24.7 m -68.36 -35.16 69.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.13 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.772 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.3 p -56.83 -49.63 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.013 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 11.3 p -81.13 -18.95 11.61 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.176 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.054 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 50.1 t30 -56.72 -42.9 80.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.585 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 57.0 mm-40 -69.89 -43.23 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.849 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.997 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.07 -50.99 51.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.494 0.664 . . . . 0.0 110.453 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' B' ' 36' ' ' VAL . 5.4 mmm180 -44.91 -43.39 8.88 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.311 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -79.96 -41.31 26.23 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 44.1 tp10 -77.88 -42.01 34.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.201 0.524 . . . . 0.0 111.661 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.005 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 13.0 mm-40 -54.84 -48.68 72.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -57.46 -35.45 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.06 -40.56 87.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.233 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.501 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -62.53 -41.3 98.78 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 51' ' ' GLU . . . -68.6 -40.97 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.25 84.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.501 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 16.2 pt-20 -67.5 -44.51 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.435 HG13 ' O ' ' B' ' 46' ' ' ALA . 30.9 m -61.69 -43.36 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.613 0.244 . . . . 0.0 111.556 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 47' ' ' ALA . 96.6 mt-10 -62.82 126.44 27.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -155.54 152.05 28.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.412 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 35.5 ptt85 -75.92 44.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 68.7 p -149.13 -39.4 0.15 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.9 OUTLIER 64.95 129.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.578 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 3.4 mmmp? -66.92 137.48 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.813 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.885 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.767 0.318 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.75 ' H ' HH12 ' B' ' 40' ' ' ARG . 39.4 tt0 -73.32 -29.19 62.51 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' B' ' 40' ' ' ARG . . . -76.04 -25.98 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.853 0.835 . . . . 0.0 110.375 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -84.98 -40.35 17.02 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.372 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.31 -21.66 30.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.697 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.929 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.56 -49.25 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-O 121.88 0.848 . . . . 0.0 109.118 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.76 -10.88 22.47 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.946 179.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.9 31.43 11.48 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.757 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.579 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 60.04 126.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.69 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -56.03 -27.1 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.628 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 35.3 ptt180 -62.15 -53.37 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.3 m -70.25 -33.06 71.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.326 0.584 . . . . 0.0 110.218 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.853 HD21 HD22 ' B' ' 25' ' ' LEU . 6.8 tp -63.19 -56.4 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.809 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 12.2 tpt180 -45.05 -28.64 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.36 -49.81 6.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.482 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.788 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.4 pt20 -65.1 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 109.817 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.49 -19.01 30.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -43.25 -30.61 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.732 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -101.56 41.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.661 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' ALA . 46.7 t -172.64 171.7 4.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -73.21 175.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.494 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -72.72 -13.93 61.45 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.439 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 39.2 tt0 -39.83 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.0 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.71 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -51.53 -39.98 58.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.101 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.953 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -68.28 -44.0 76.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 120.944 0.402 . . . . 0.0 110.026 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.953 ' H ' HD12 ' A' ' 25' ' ' LEU . 68.7 tt0 -54.2 -25.33 22.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 45.0 mm-40 -82.87 -54.54 5.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.782 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.538 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 21.4 mmt -89.3 -46.32 8.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.235 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.897 HD12 HD23 ' B' ' 32' ' ' LEU . 25.2 tp -56.16 -39.71 72.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.09 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' VAL . 40.9 tt0 -65.22 -29.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.443 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 62.9 mmtt -87.97 -37.77 16.11 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.748 0.785 . . . . 0.0 110.275 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.98 HD23 HD12 ' B' ' 29' ' ' LEU . 18.0 tp -61.35 -24.47 66.48 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.485 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.92 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.8 OUTLIER -84.64 -29.02 26.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 30' ' ' GLU . 10.6 t -68.25 -44.17 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.789 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 17.4 m -51.61 -42.44 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.668 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -86.98 -20.46 7.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.407 177.144 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 11.9 t-20 -57.46 -41.02 79.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.647 ' HG3' ' HD2' ' A' ' 39' ' ' ARG . 10.7 pt-20 -82.87 -42.18 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.316 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.789 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.02 -56.36 7.16 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 111.256 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.627 ' HB2' ' O ' ' A' ' 36' ' ' VAL . 16.6 mmm180 -45.66 -38.72 7.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.559 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.31 -42.9 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 67.5 mm-40 -84.46 -43.84 14.23 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.998 0.428 . . . . 0.0 112.014 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.093 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 5.1 tp10 -59.97 -48.7 80.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.16 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -53.73 -34.27 58.36 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.43 -43.54 76.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.364 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -62.1 -41.35 98.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.12 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.47 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.769 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.48 89.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.83 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 24.8 pt-20 -64.13 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.379 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 49' ' ' GLU . 94.7 t 71.5 -63.45 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 50' ' ' VAL . 41.6 tt0 71.59 -35.14 0.32 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.37 -0.377 . . . . 0.0 112.008 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 50' ' ' VAL . 57.2 mm-40 -60.96 -49.11 78.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -67.59 -41.5 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 51' ' ' GLU . 80.7 p -64.01 136.98 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 9.2 mpt_? -63.59 -50.65 68.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.044 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LYS . 38.0 ttpt 55.34 47.36 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.114 0.483 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.484 ' HB3' HD22 ' B' ' 4' ' ' LEU . 50.1 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.7 tt0 -77.87 -27.77 49.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.668 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -74.64 -22.86 58.69 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.969 0.89 . . . . 0.0 110.295 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -84.29 -44.98 13.31 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.154 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -81.11 -25.83 36.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.314 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.883 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.3 -61.4 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.85 -9.96 58.37 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.041 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 34.84 20.46 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.324 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.551 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 60.82 128.62 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.516 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.739 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -57.42 -27.86 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.711 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.3 ptp180 -56.84 -51.15 70.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.504 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.0 m -82.64 -37.42 24.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.519 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.845 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.1 tt -62.76 -56.79 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.776 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 30.7 ttt85 -44.0 -34.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.322 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.98 -48.55 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.331 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.845 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.2 pt20 -61.83 -36.8 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.739 0.78 . . . . 0.0 109.787 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.45 -22.12 26.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 26.9 tpt180 -46.19 -31.03 2.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.928 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.44 28.83 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.422 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.5 p -165.25 -157.76 0.35 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.285 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.4 p -92.94 166.65 12.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.381 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.92 HD12 HD21 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -63.05 -13.73 39.39 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.001 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.481 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.8 tp10 -38.96 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.622 0.248 . . . . 0.0 110.842 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.482 HG22 HD11 ' B' ' 13' ' ' LEU . 51.7 m -51.56 -43.4 62.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.947 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.3 pp -68.41 -44.46 74.97 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.239 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.947 ' N ' HD12 ' B' ' 25' ' ' LEU . 34.0 tt0 -56.44 -24.78 47.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.3 tp10 -83.49 -57.4 3.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.942 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.8 mtt -89.31 -45.17 9.7 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.98 HD12 HD23 ' A' ' 32' ' ' LEU . 60.7 tp -58.97 -29.42 67.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.683 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.565 ' O ' HG13 ' B' ' 34' ' ' VAL . 34.2 tt0 -71.35 -31.33 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 110.427 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.697 ' HA ' HG22 ' B' ' 34' ' ' VAL . 57.3 mmtt -86.34 -27.59 24.2 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.609 0.719 . . . . 0.0 109.595 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.934 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 18.9 tp -68.07 -26.05 65.65 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.659 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.979 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -84.19 -35.49 23.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.51 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.1 m -71.54 -37.85 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.236 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.548 HG23 ' N ' ' B' ' 36' ' ' VAL . 16.4 m -55.22 -48.01 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.84 HG22 ' HG2' ' B' ' 40' ' ' ARG . 5.9 p -82.45 -19.59 10.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.644 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 35.4 t30 -57.77 -37.97 74.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -74.54 -40.39 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.454 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.093 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -75.27 -48.03 25.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.281 0.562 . . . . 0.0 110.77 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.84 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.3 mmm-85 -46.01 -41.06 11.42 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.014 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -86.71 -45.5 10.9 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.9 mm-40 -87.78 -46.74 9.19 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.718 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 28.6 tp10 -62.57 -47.03 85.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.025 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -59.03 -32.62 69.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.71 -41.49 92.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.258 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.78 98.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.451 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.21 64.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.339 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -65.43 -39.31 91.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.105 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -56.37 -44.42 80.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 48' ' ' ALA . 33.6 t 58.29 64.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.038 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.73 49.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 39.1 tt0 -169.3 40.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.154 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' B' ' 53' ' ' ARG . 10.8 tpt180 -175.59 40.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.0 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 69.7 p -147.44 -137.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.758 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' B' ' 55' ' ' ARG . 40.3 mmt-85 -138.41 136.36 36.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 56' ' ' LYS . 37.9 ttpt -171.05 42.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.192 0.52 . . . . 0.0 110.438 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.625 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.553 ' HA ' HD22 ' A' ' 4' ' ' LEU . 81.0 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -73.2 -27.64 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.83 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.67 -20.82 58.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.895 0.855 . . . . 0.0 110.036 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 ' HB3' HD21 ' A' ' 9' ' ' ASN . 0.9 OUTLIER -86.47 -45.05 11.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.222 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -80.54 -24.42 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.363 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.709 HG23 ' H ' ' A' ' 7' ' ' LEU . 3.7 tt -53.33 -55.73 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.85 0.833 . . . . 0.0 109.283 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.932 HD13 HD21 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -92.22 -7.44 48.2 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.577 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.448 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 m120 61.78 33.09 17.99 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.636 ' HB3' HH11 ' A' ' 11' ' ' ARG . 2.9 m120 63.84 129.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.135 0.493 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.971 HD13 ' HB2' ' B' ' 30' ' ' GLU . 16.4 pt -55.81 -26.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.211 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.636 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.2 ptp85 -53.88 -54.16 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 13.1 t -88.41 -31.04 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.658 ' HA ' HE21 ' A' ' 16' ' ' GLN . 1.7 tm? -62.2 -53.85 49.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.672 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.903 ' HA ' HD11 ' B' ' 22' ' ' LEU . 22.4 ptt85 -53.24 -31.58 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.965 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.21 -50.88 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.4 pt20 -61.46 -33.64 74.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 109.769 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.21 -22.83 26.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.159 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 31.9 tpt85 -48.72 -31.81 7.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.721 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 16.4 pt-20 -58.67 -37.88 76.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -96.96 -137.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.843 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.9 m -123.81 -176.81 3.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.98 -16.75 33.01 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.061 0.458 . . . . 0.0 110.281 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.9 tt0 -43.53 -26.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.348 0.594 . . . . 0.0 110.109 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.68 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -57.96 -40.57 80.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.759 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.31 -45.25 66.63 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.492 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.949 ' H ' HD12 ' A' ' 25' ' ' LEU . 15.7 pt-20 -55.81 -22.93 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.2 tp10 -83.4 -55.48 4.29 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.638 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.26 -47.58 7.96 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.869 HD12 HD23 ' B' ' 32' ' ' LEU . 50.8 tp -55.08 -34.2 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.701 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.055 ' HB2' HD13 ' B' ' 10' ' ' ILE . 16.1 tp10 -66.63 -36.41 82.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 34' ' ' VAL . 57.0 mmtt -74.91 -25.45 58.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.884 HD11 ' HA ' ' B' ' 33' ' ' GLU . 18.2 tp -72.65 -29.44 63.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.892 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.052 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -84.45 -32.74 23.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.467 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.8 m -72.65 -40.83 62.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.293 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.766 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 11.5 m -52.95 -49.28 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.871 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.0 p -84.59 -18.44 9.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.802 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 21.8 t30 -56.82 -39.57 74.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -76.06 -40.5 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.796 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.928 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.94 -53.36 21.27 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.635 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.5 mmm180 -44.96 -42.4 8.16 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.43 -42.11 17.33 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 tp10 -84.23 -45.06 13.29 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.788 ' HG2' ' HG2' ' B' ' 43' ' ' GLU . 1.6 tm-20 -55.27 -49.92 70.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.265 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.8 m -57.68 -35.84 71.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -63.82 -41.04 97.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.062 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.37 95.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.691 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.945 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.5 -47.52 81.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.64 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.3 p -63.98 -47.87 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.735 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 50' ' ' VAL . 17.7 tp10 -78.57 125.85 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 111.187 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' OE2' ' HB ' ' A' ' 54' ' ' THR . 38.7 tt0 177.43 130.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.035 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -77.21 40.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.927 0.394 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.485 ' HB ' ' OE2' ' A' ' 52' ' ' GLU . 8.6 t -67.35 -34.43 77.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.596 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 69.19 134.61 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -79.98 45.71 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 57' ' ' LEU . 7.0 mp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.108 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.642 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 54.4 mt-10 -73.01 -14.43 61.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.708 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -75.07 -32.49 61.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.513 1.149 . . . . 0.0 109.559 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.583 ' HB3' HD21 ' B' ' 9' ' ' ASN . 1.2 mt -86.01 -47.76 9.29 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 112.984 -1.916 . . . . 0.0 110.328 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -71.91 -29.17 64.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.058 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.891 HD12 ' HB2' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.35 -49.11 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.287 1.041 . . . . 0.0 108.707 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.1 -16.2 28.21 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.926 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER 60.59 30.04 19.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.548 -178.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.583 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.4 m120 63.11 125.81 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.642 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.055 HD13 ' HB2' ' A' ' 30' ' ' GLU . 20.7 pt -51.57 -27.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.45 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.5 ptm180 -59.08 -51.21 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -80.74 -37.02 31.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 110.723 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.6 tm? -62.24 -49.81 74.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.45 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.751 ' HA ' HD11 ' A' ' 22' ' ' LEU . 25.4 ttt85 -52.09 -34.49 44.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.716 0.294 . . . . 0.0 111.565 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.88 -50.1 8.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.593 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 26.7 pt20 -63.29 -33.16 74.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.536 0.684 . . . . 0.0 109.901 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' B' ' 24' ' ' THR . . . -85.79 -22.74 27.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.569 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.654 ' NH1' HG21 ' A' ' 21' ' ' THR . 26.6 tpt180 -48.95 -29.68 5.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.331 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.945 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 -138.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.875 HG22 ' H ' ' B' ' 22' ' ' LEU . 2.1 m -118.76 -161.88 0.87 Allowed 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.109 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -69.95 -16.04 63.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.202 0.525 . . . . 0.0 109.764 179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.764 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 89.1 tt0 -43.45 -25.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.446 0.641 . . . . 0.0 110.131 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.634 HG21 ' HB1' ' B' ' 17' ' ' ALA . 4.4 t -57.66 -40.12 78.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.507 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.109 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -69.92 -44.57 69.38 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.277 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 11.2 pt-20 -54.73 -22.57 14.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 79.7 tt0 -84.38 -54.96 4.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.29 -45.22 10.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.814 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.932 HD21 HD13 ' A' ' 7' ' ' LEU . 12.4 tp -60.32 -18.75 51.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.327 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.971 ' HB2' HD13 ' A' ' 10' ' ' ILE . 5.1 tp10 -82.37 -33.19 28.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.495 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.706 ' HA ' HG22 ' B' ' 34' ' ' VAL . 22.4 mmtp -86.13 -32.05 21.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.865 0.84 . . . . 0.0 109.479 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.052 HD11 ' HA ' ' A' ' 33' ' ' GLU . 10.3 tp -71.52 -22.87 61.72 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.296 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.884 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.38 -39.03 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.258 178.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.761 HG13 ' O ' ' B' ' 30' ' ' GLU . 32.3 m -65.51 -37.38 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.175 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.787 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 19.4 m -53.14 -45.45 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.83 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -81.52 -20.87 10.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.6 177.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 32.8 t30 -58.23 -35.16 71.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.23 -42.47 17.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.249 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.787 ' HD2' ' O ' ' B' ' 35' ' ' VAL . 0.0 OUTLIER -73.17 -55.11 6.91 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.238 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.696 HH21 HG12 ' A' ' 35' ' ' VAL . 22.4 mmt180 -43.95 -38.46 3.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -86.14 -42.86 13.52 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 17.7 tp10 -85.15 -46.5 11.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.928 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -52.99 -50.69 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.1 m -58.09 -35.91 72.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.92 -41.37 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.386 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.536 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -64.31 -43.1 95.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.587 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.23 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.783 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.45 85.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.82 -44.8 96.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 46' ' ' ALA . 97.7 t -61.95 -53.96 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.237 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.06 132.58 43.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 178.74 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.606 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 66.05 36.33 5.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.564 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 92.2 m -71.93 124.33 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.71 135.86 40.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.719 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.579 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 3.2 mmmp? -66.61 -139.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.753 -179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.653 ' H1 ' HD22 ' A' ' 4' ' ' LEU . 47.7 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' HB3' ' HG2' ' B' ' 40' ' ' ARG . 43.6 tp10 -78.7 -35.97 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -76.7 -20.82 56.16 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.974 0.892 . . . . 0.0 110.004 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.653 HD22 ' H1 ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -85.67 -44.36 12.64 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.154 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.686 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -82.42 -23.89 34.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.22 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.884 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -52.91 -56.48 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 CA-C-O 121.752 0.787 . . . . 0.0 109.29 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -7.65 46.62 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.595 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' HB ' ' A' ' 12' ' ' THR . 74.7 m-80 60.1 31.37 20.55 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.027 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.7 m120 62.33 130.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.219 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.779 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.49 -26.09 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.716 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 12' ' ' THR . 38.3 ptt180 -61.67 -50.28 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.462 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.3 m -74.63 -40.45 61.5 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -62.98 -52.79 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.829 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 11.9 tpt180 -46.27 -32.03 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.213 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.54 -49.9 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.716 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.23 -34.88 79.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 109.976 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.57 -19.33 29.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.617 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -41.87 -30.22 0.25 Allowed 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.064 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -109.26 46.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.578 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' ALA . 43.8 t -167.81 173.62 8.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.061 0.458 . . . . 0.0 111.402 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 22' ' ' LEU . 43.6 m -78.42 160.15 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.076 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.42 -15.25 35.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.535 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -40.54 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.841 0.353 . . . . 0.0 110.465 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.57 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.0 -43.16 63.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.785 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.076 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.81 -44.51 81.02 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.931 ' N ' HD12 ' A' ' 25' ' ' LEU . 32.1 tt0 -53.19 -26.97 19.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 44.3 tt0 -83.23 -50.4 8.45 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.012 178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -88.4 -48.99 7.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 111.834 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.898 HD12 HD23 ' B' ' 32' ' ' LEU . 40.9 tp -54.0 -39.79 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.017 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.679 ' O ' HG13 ' A' ' 34' ' ' VAL . 37.4 tt0 -62.88 -32.87 74.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.942 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.669 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 mmtp -86.48 -29.65 22.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.678 0.751 . . . . 0.0 109.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' B' ' 33' ' ' GLU . 13.5 tp -67.26 -25.75 66.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.812 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.969 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.5 pp20? -86.02 -39.1 17.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.979 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 30' ' ' GLU . 17.9 m -65.57 -36.42 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG21 HG21 ' B' ' 36' ' ' VAL . 14.3 m -55.95 -48.8 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' B' ' 36' ' ' VAL . 0.0 OUTLIER -79.09 -20.34 12.75 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.523 178.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 46.6 t30 -55.44 -39.92 70.9 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -79.11 -42.64 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.444 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.871 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.66 -53.58 11.39 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.843 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.676 HH11 ' HA ' ' A' ' 40' ' ' ARG . 4.2 mmm180 -45.27 -39.44 6.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.12 -41.49 15.66 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.3 mm-40 -85.85 -46.05 10.99 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.8 OUTLIER -54.68 -49.62 70.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -57.6 -36.1 71.31 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.57 -43.64 98.32 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.317 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -65.53 -41.55 92.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.57 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.36 87.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.95 -38.05 79.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.456 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.56 -42.42 92.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 46' ' ' ALA . 39.9 t -77.61 61.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -155.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -150.92 -42.94 0.12 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 53' ' ' ARG . 57.6 mtm-85 -58.09 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.251 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.8 m -62.57 135.96 57.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.738 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -174.18 141.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 56' ' ' LYS . 62.6 tttp -77.53 49.11 0.71 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.73 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.746 ' N ' HD23 ' B' ' 4' ' ' LEU . 25.3 t . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.417 0.151 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.495 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.581 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -77.22 -22.88 51.61 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.883 0.849 . . . . 0.0 110.287 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.746 HD23 ' N ' ' B' ' 1' ' ' SER . 1.6 mm? -84.95 -39.49 18.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.491 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.0 tptp -84.86 -25.58 27.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -55.09 -48.23 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.579 0.704 . . . . 0.0 109.762 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.871 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -99.93 -11.85 20.3 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.258 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.491 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 64.4 m-80 66.85 29.81 8.15 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.588 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.8 m120 61.05 130.4 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.415 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.725 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -54.7 -26.35 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.696 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.519 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 34.1 ptt85 -62.4 -51.86 65.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.058 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.5 m -70.15 -36.8 74.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.732 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.807 ' HA ' HE21 ' B' ' 16' ' ' GLN . 9.2 tp -64.91 -55.02 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.93 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' A' ' 22' ' ' LEU . 33.9 tpt85 -44.93 -27.99 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.88 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.334 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.807 HE21 ' HA ' ' B' ' 13' ' ' LEU . 24.8 pt20 -63.88 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 0.0 109.86 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -86.25 -19.25 30.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.4 ttt180 -43.0 -27.15 0.17 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.341 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' B' ' 17' ' ' ALA . 11.8 pt-20 -112.62 44.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.406 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.2 p -166.55 -170.44 1.62 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.043 0.449 . . . . 0.0 111.717 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.472 HG22 ' N ' ' B' ' 22' ' ' LEU . 45.7 m -92.02 159.4 15.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.175 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -62.28 -13.78 31.96 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.609 179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.561 ' N ' HD23 ' B' ' 22' ' ' LEU . 39.3 tt0 -39.61 -25.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.716 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.702 HG21 HD11 ' B' ' 13' ' ' LEU . 4.9 t -53.05 -41.65 65.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.945 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -66.76 -45.09 79.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.923 0.392 . . . . 0.0 110.285 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.929 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.7 tt0 -56.47 -24.59 46.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.72 -57.37 3.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.937 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.666 ' SD ' HD22 ' B' ' 13' ' ' LEU . 22.1 ptp -89.89 -44.84 9.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.804 HD21 HD13 ' A' ' 7' ' ' LEU . 14.9 tp -58.8 -30.47 67.62 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.934 0.397 . . . . 0.0 110.192 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.764 ' O ' HG13 ' B' ' 34' ' ' VAL . 40.5 tt0 -69.75 -33.41 72.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.67 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.01 -28.07 24.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.609 0.719 . . . . 0.0 109.712 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.969 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.2 tp -67.85 -25.76 65.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.088 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.898 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -86.08 -34.39 20.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.471 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.764 HG13 ' O ' ' B' ' 30' ' ' GLU . 14.1 m -69.21 -36.99 75.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.63 HG21 HG21 ' A' ' 36' ' ' VAL . 9.9 m -55.85 -46.05 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.97 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -80.19 -27.58 11.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.474 -0.491 . . . . 0.0 109.994 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.566 ' HB2' ' HA ' ' B' ' 34' ' ' VAL . 28.8 t-20 -46.66 -41.24 14.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.26 -46.5 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.122 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -70.89 -59.18 2.94 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.299 0.571 . . . . 0.0 111.57 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 36' ' ' VAL . 28.9 tpt85 -44.46 -38.49 4.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.051 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.86 -45.95 10.38 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 88.9 tt0 -79.43 -39.43 32.36 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.871 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.5 tm-20 -55.12 -48.31 73.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.076 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -57.13 -36.62 70.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -64.57 -41.54 96.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.306 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.55 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.59 -42.02 99.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.536 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.32 97.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.586 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.96 92.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.901 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -58.51 -39.12 79.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 46' ' ' ALA . 94.7 t -55.38 -45.47 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.201 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.669 ' HG2' ' H ' ' B' ' 52' ' ' GLU . 70.2 tt0 55.74 -137.3 1.13 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.379 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.669 ' H ' ' HG2' ' B' ' 51' ' ' GLU . 17.6 tp10 179.2 -42.84 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 120.748 0.309 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.527 ' H ' ' HD2' ' B' ' 53' ' ' ARG . 8.8 mpt_? -60.39 -51.56 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.26 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.6 p -64.67 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.408 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' B' ' 56' ' ' LYS . 38.6 ptt180 -173.52 35.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 23.3 tptm 72.25 -54.39 0.68 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.591 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.501 HD12 ' N ' ' B' ' 57' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.507 ' N ' HD23 ' A' ' 4' ' ' LEU . 53.9 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 5.4 tp10 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.54 -24.72 33.9 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.653 0.74 . . . . 0.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.804 HD11 HD22 ' B' ' 37' ' ' ASN . 1.9 mm? -84.27 -34.7 23.75 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.645 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 18.8 tptm -85.03 -29.31 25.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.42 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.97 HG21 HD13 ' A' ' 32' ' ' LEU . 4.4 tt -55.03 -45.8 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 121.349 0.595 . . . . 0.0 110.272 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.052 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -104.98 -8.56 18.49 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.736 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 72.9 m-80 63.54 35.8 11.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.816 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.679 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.7 m120 61.37 127.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.198 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.828 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -59.75 -53.67 55.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.551 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -68.12 -33.72 75.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.873 HD21 HD22 ' B' ' 25' ' ' LEU . 5.7 tp -62.1 -59.61 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.492 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.767 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.1 mtp180 -43.46 -29.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.282 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.23 -49.86 10.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.993 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.64 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -67.42 -32.58 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.406 0.622 . . . . 0.0 110.259 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.33 -20.02 28.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.452 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 39.6 ttt85 -43.88 -28.01 0.4 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -108.38 40.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.599 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.9 m -164.29 -168.21 1.49 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.137 0.494 . . . . 0.0 111.57 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 22' ' ' LEU . 71.1 m -92.61 158.75 15.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.533 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.029 HD12 HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -58.23 -14.0 6.26 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -40.59 -25.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 110.63 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.644 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 t -52.13 -38.57 57.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.029 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -70.97 -48.88 50.89 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.784 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 1.019 ' H ' HD12 ' A' ' 25' ' ' LEU . 12.6 pt-20 -55.8 -20.35 14.79 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.518 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.2 tt0 -82.99 -55.62 4.27 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.767 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 mmt -88.8 -45.37 9.81 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.636 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.985 HD12 HD23 ' B' ' 32' ' ' LEU . 19.6 tp -54.04 -38.93 65.73 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.045 ' HB2' HD13 ' B' ' 10' ' ' ILE . 33.4 tt0 -64.17 -33.64 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.36 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HA ' HG22 ' A' ' 34' ' ' VAL . 21.2 mmtp -86.08 -30.37 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.815 0.817 . . . . 0.0 109.625 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.117 HD11 ' HA ' ' B' ' 33' ' ' GLU . 24.3 tp -69.01 -24.51 64.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.934 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.967 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.5 pt-20 -86.19 -41.61 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.547 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 31' ' ' LYS . 21.6 m -63.86 -35.51 73.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.189 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.814 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 9.5 m -55.98 -50.39 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.15 -20.33 15.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.372 178.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' OD1' HD11 ' B' ' 4' ' ' LEU . 49.8 t30 -55.09 -40.95 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.92 -46.83 14.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.353 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HD2' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -63.61 -51.81 63.63 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.444 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 22.1 mmm180 -50.94 -46.4 60.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.83 -36.82 73.07 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -82.32 -31.98 29.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.875 0.369 . . . . 0.0 111.805 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.1 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 3.9 mm-40 -67.64 -48.37 66.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -57.24 -31.98 66.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' A' ' 49' ' ' GLU . . . -71.63 -45.67 61.39 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.769 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.42 96.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 50' ' ' VAL . . . -70.72 -36.01 73.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.505 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.44 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.076 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 24.9 pt-20 -80.25 -47.36 14.73 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 47' ' ' ALA . 35.8 m 40.63 34.18 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.841 0.353 . . . . 0.0 111.344 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 177.83 134.65 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.502 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 54' ' ' THR . 55.9 mt-10 -89.42 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 47.8 ttm-85 -75.1 32.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.485 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 52' ' ' GLU . 82.0 p -78.14 -50.56 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.048 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.98 137.0 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.495 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.58 -42.75 99.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.704 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.008 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.471 ' HA ' HD22 ' B' ' 4' ' ' LEU . 47.1 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.593 ' HA ' ' HG3' ' B' ' 5' ' ' LYS . 94.4 mt-10 -71.55 -28.08 63.62 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.758 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -70.64 -25.06 62.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.88 0.848 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -84.14 -45.9 12.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.529 -179.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.628 ' HD3' ' N ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -83.21 -21.47 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.744 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.928 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -54.63 -61.54 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.906 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.33 -10.07 59.63 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' B' ' 5' ' ' LYS . 50.7 t30 60.25 36.9 20.74 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.685 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.579 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.7 m120 61.27 128.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.443 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.045 HD13 ' HB2' ' A' ' 30' ' ' GLU . 22.6 pt -59.05 -32.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.738 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.579 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.1 ptm180 -52.22 -50.04 62.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.5 m -79.99 -35.51 37.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.447 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.869 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.3 tt -63.85 -58.89 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.088 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.998 ' HA ' HD11 ' A' ' 22' ' ' LEU . 12.1 ptm180 -46.9 -29.71 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.59 0.234 . . . . 0.0 110.973 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.51 -50.21 10.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.679 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.869 HE21 ' HA ' ' B' ' 13' ' ' LEU . 25.6 pt20 -63.41 -35.61 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.787 0.803 . . . . 0.0 109.738 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.48 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -86.05 -20.87 28.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 55.4 ttt-85 -44.23 -30.74 0.84 Allowed 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.18 34.3 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.365 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 17' ' ' ALA . 54.8 m -162.48 -162.65 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.546 HG22 ' N ' ' B' ' 22' ' ' LEU . 31.3 m -96.34 165.27 12.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.878 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -56.69 -14.58 3.41 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.628 0.251 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -39.49 -29.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.834 0.349 . . . . 0.0 110.57 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.6 t -52.46 -43.71 65.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.315 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.921 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.3 pp -68.7 -44.83 73.12 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.921 ' H ' HD12 ' B' ' 25' ' ' LEU . 38.9 tt0 -55.25 -23.04 20.64 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 28.0 tt0 -82.03 -52.41 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.5 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.703 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 23.8 mmt -89.47 -47.4 8.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.872 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.052 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.4 tp -56.37 -41.64 76.55 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.07 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' A' ' 10' ' ' ILE . 34.7 tt0 -63.14 -32.95 74.46 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.487 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.0 mmtp -86.48 -31.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.665 0.745 . . . . 0.0 109.466 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.985 HD23 HD12 ' A' ' 29' ' ' LEU . 11.0 tp -68.31 -25.53 65.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.008 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.117 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.2 pt-20 -86.0 -46.34 10.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.165 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 31' ' ' LYS . 28.0 m -62.49 -33.73 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.804 HG22 HG11 ' A' ' 36' ' ' VAL . 7.7 p -58.75 -46.05 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.998 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.73 -20.45 12.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 CA-C-O 121.184 0.516 . . . . 0.0 109.716 177.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.804 HD22 HD11 ' A' ' 4' ' ' LEU . 36.8 t-20 -55.21 -38.61 68.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.71 -40.77 24.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.248 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.1 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -71.92 -54.18 10.82 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.621 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 24.4 mmm180 -45.05 -40.57 6.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.27 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 24.8 pt-20 -85.67 -39.79 16.87 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 39.5 tt0 -84.82 -47.11 10.7 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.835 ' HG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -54.51 -49.73 69.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -59.03 -35.71 73.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -62.31 -41.45 98.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.295 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.444 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -61.56 -42.11 98.36 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.579 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.37 78.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.291 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.82 -46.02 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.86 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 45' ' ' ALA . 16.5 pt-20 -65.77 -41.86 91.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.442 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 68.1 t 64.2 -81.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.995 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -77.78 -138.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.775 ' HG3' HG22 ' B' ' 54' ' ' THR . 17.4 tp10 -168.3 138.14 2.5 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -75.13 57.23 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.823 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.775 HG22 ' HG3' ' B' ' 52' ' ' GLU . 10.1 t -165.92 43.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.052 0.453 . . . . 0.0 111.197 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.433 ' HB2' ' H ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -66.68 -151.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.338 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.611 ' HB3' ' NZ ' ' B' ' 56' ' ' LYS . 7.9 mtpm? -71.81 -139.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.448 HD23 ' C ' ' B' ' 57' ' ' LEU . 5.2 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.473 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.612 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 54.9 mt-10 -74.18 -25.43 59.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.852 0.834 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.0 mm? -84.14 -44.36 14.08 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -80.49 -25.52 38.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.24 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 32' ' ' LEU . 3.9 tt -56.02 -46.2 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.445 0.64 . . . . 0.0 109.96 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.1 OUTLIER -105.29 -15.12 15.13 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.919 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m120 64.87 33.61 9.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.7 m120 62.29 128.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.65 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.23 -27.29 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.369 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 36.6 ptt85 -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.2 m -80.9 -39.82 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 110.96 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.4 tm? -61.91 -50.24 72.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.635 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.06 ' HG3' HD21 ' B' ' 22' ' ' LEU . 45.7 ttt-85 -49.01 -37.6 20.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.66 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . . . -79.16 -49.61 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -62.88 -25.04 68.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 0.0 109.884 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.29 -25.2 27.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.441 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 22.8 mmm180 -42.54 -32.96 0.61 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.547 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -80.11 24.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.607 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' ALA . 49.2 m -164.82 -155.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.006 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -102.72 -172.61 2.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.012 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -72.79 -14.88 61.62 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.7 tt0 -40.25 -27.97 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' HD21 ' A' ' 13' ' ' LEU . 5.0 t -53.02 -40.4 63.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.494 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.923 HD12 ' H ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -66.17 -43.77 85.96 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HA ' HG21 ' B' ' 10' ' ' ILE . 36.2 tt0 -56.12 -24.03 38.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 44.0 mm-40 -83.1 -54.58 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.914 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.1 mmt -89.6 -45.31 9.46 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.443 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.845 HD12 HD23 ' B' ' 32' ' ' LEU . 36.9 tp -58.02 -44.24 87.21 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 37.1 tt0 -59.2 -34.6 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.324 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.705 ' HA ' HG22 ' A' ' 34' ' ' VAL . 56.3 mmtt -86.22 -27.87 24.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.7 . . . . 0.0 109.728 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.947 ' HG ' ' HG ' ' B' ' 32' ' ' LEU . 16.9 tp -67.09 -25.81 66.4 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -86.15 -39.0 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.874 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' A' ' 31' ' ' LYS . 17.9 m -67.3 -35.24 73.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.4 p -56.27 -38.04 53.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.724 ' O ' ' N ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -86.06 -32.39 6.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.43 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.594 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 50.1 t30 -43.27 -40.8 3.64 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.19 -45.02 12.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.114 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.065 ' HD3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -73.15 -58.7 3.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.446 0.641 . . . . 0.0 111.451 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.724 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -42.27 -39.21 2.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.865 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -83.93 -46.47 12.06 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 tp10 -78.5 -40.58 34.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.169 0.509 . . . . 0.0 111.818 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.065 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 10.9 tp10 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.57 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -57.88 -37.38 73.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.61 -39.9 95.23 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.976 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -62.65 -41.65 99.17 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.15 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.15 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.76 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 16.1 pt-20 -64.61 -26.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.398 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 46' ' ' ALA . 94.6 t -48.06 -44.58 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.422 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.69 141.72 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -167.71 -49.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -176.63 52.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.707 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 t -168.7 134.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.033 0.444 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -172.29 43.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.413 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 59.93 -137.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.534 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 -77.06 -35.94 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.681 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -76.55 -27.43 55.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.234 1.016 . . . . 0.0 110.375 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.0 OUTLIER -77.31 -45.16 27.11 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.261 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.639 ' HD2' ' C ' ' B' ' 5' ' ' LYS . 0.7 OUTLIER -78.86 -34.69 44.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.888 HG21 HD13 ' B' ' 32' ' ' LEU . 3.6 tt -53.65 -41.13 45.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-O 122.293 1.044 . . . . 0.0 108.824 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.0 tt -87.94 -28.22 21.63 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.641 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 61.64 16.46 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.586 ' CA ' HD22 ' B' ' 7' ' ' LEU . 3.0 m120 64.02 130.41 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 113.618 -1.628 . . . . 0.0 112.08 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.947 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.01 -29.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.63 -179.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.2 ptm85 -55.52 -46.31 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -85.44 -37.67 19.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.295 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.672 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.0 tt -62.68 -55.45 26.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.462 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.809 ' HG3' HD21 ' A' ' 22' ' ' LEU . 38.1 ttt85 -47.16 -30.27 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.403 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.86 -50.5 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.19 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.672 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.4 pt20 -63.08 -33.74 76.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.47 0.652 . . . . 0.0 109.924 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -85.93 -23.6 26.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.358 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -44.21 -31.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.015 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -84.62 29.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.384 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.412 ' N ' ' O ' ' B' ' 17' ' ' ALA . 19.3 t -164.8 -156.2 0.3 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.777 0.322 . . . . 0.0 111.26 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.54 HG22 ' N ' ' B' ' 22' ' ' LEU . 27.9 m -101.31 166.07 10.94 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.06 HD21 ' HG3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.24 -14.39 7.08 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.45 ' N ' HD23 ' B' ' 22' ' ' LEU . 24.6 pt-20 -40.14 -26.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' B' ' 27' ' ' GLU . 4.7 t -52.57 -42.8 64.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.972 HD21 HD12 ' B' ' 22' ' ' LEU . 1.2 pp -68.66 -42.98 77.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.94 ' N ' HD12 ' B' ' 25' ' ' LEU . 65.6 tt0 -53.97 -26.36 25.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 38.5 tp10 -83.21 -52.28 6.74 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.081 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.3 -46.32 8.84 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.708 HD12 HD23 ' A' ' 32' ' ' LEU . 21.6 tp -56.63 -37.42 70.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 84.3 tt0 -68.86 -32.05 71.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.776 ' HA ' HG22 ' B' ' 34' ' ' VAL . 68.0 mmtt -87.55 -32.0 19.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.406 0.622 . . . . 0.0 110.537 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 23.5 tp -68.71 -24.43 64.48 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.43 -38.55 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.01 178.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.2 m -71.95 -38.24 63.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.695 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 7.3 p -56.21 -49.52 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' B' ' 40' ' ' ARG . 12.4 p -79.13 -19.85 12.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.133 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 25.8 t30 -56.24 -42.23 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -74.93 -44.12 50.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.793 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.763 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.79 -27.59 66.02 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.567 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.846 ' HG2' HG22 ' B' ' 36' ' ' VAL . 1.2 mmm180 -67.8 -52.94 31.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.247 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.07 -39.97 94.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.086 0.469 . . . . 0.0 110.102 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -78.56 -20.76 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.498 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 5.1 tm-20 -63.83 -49.46 72.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.93 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -69.05 -34.14 74.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.491 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -64.93 -46.81 80.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.202 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.56 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.531 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.73 97.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.165 0.507 . . . . 0.0 109.664 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.65 -35.21 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.129 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 46' ' ' ALA . 59.7 t -68.43 107.09 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.754 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 65.97 131.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.162 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 54' ' ' THR . 38.9 tt0 -177.47 148.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -60.93 76.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 111.588 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.501 ' H ' ' HD3' ' B' ' 55' ' ' ARG . 7.3 t -174.77 46.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.545 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.8 OUTLIER -77.74 40.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.532 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 53.44 43.71 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.007 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.135 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.761 0.315 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' HG2' ' NE ' ' B' ' 40' ' ' ARG . 12.2 pt-20 -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.594 ' C ' HG22 ' A' ' 6' ' ' ILE . . . -72.93 -24.35 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.905 0.859 . . . . 0.0 110.138 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -83.2 -43.11 16.5 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.25 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.1 tmtp? -84.07 -24.09 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.42 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.89 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.4 -53.0 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.799 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -91.53 -11.51 37.17 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.631 178.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.32 35.77 17.92 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.612 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.563 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.9 m120 59.89 127.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.644 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.815 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -55.21 -29.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.417 179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.7 ptm180 -60.56 -49.41 77.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -75.35 -38.71 59.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -62.73 -53.75 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.669 ' HG3' HD21 ' B' ' 22' ' ' LEU . 38.4 ttt85 -46.49 -32.06 3.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.34 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.54 -49.94 8.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.322 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.682 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.3 pt20 -64.57 -32.15 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 110.019 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -85.89 -24.25 26.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.233 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -42.66 -31.63 0.48 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.146 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -82.9 28.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.423 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' ALA . 22.4 t -167.55 -157.53 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.531 0.205 . . . . 0.0 110.959 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 p -98.38 -177.7 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.361 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.979 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.0 -14.56 63.11 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.019 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.5 pt-20 -40.32 -26.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.554 HG21 HD12 ' B' ' 22' ' ' LEU . 4.4 t -52.27 -43.28 64.31 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.087 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.8 -45.62 77.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 1.022 ' HG3' HD12 ' B' ' 10' ' ' ILE . 17.9 tt0 -52.0 -26.94 11.83 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 83.6 tt0 -83.31 -53.87 5.42 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.4 mtt -88.57 -44.33 10.73 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HG ' HD22 ' B' ' 7' ' ' LEU . 17.5 tp -54.26 -36.32 63.46 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.11 ' HB2' HD13 ' B' ' 10' ' ' ILE . 85.7 tt0 -68.5 -31.57 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.594 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.1 mmtp -86.2 -36.67 19.33 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.667 0.746 . . . . 0.0 109.965 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.06 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.0 tp -67.91 -22.07 65.1 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.821 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.012 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.0 pt-20 -86.18 -47.04 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.834 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' HA ' ' A' ' 31' ' ' LYS . 34.9 m -61.31 -34.81 62.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.159 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.738 HG22 HG21 ' B' ' 36' ' ' VAL . 13.4 p -56.52 -42.71 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.917 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -76.3 -36.97 30.85 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.469 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 35.1 t30 -42.68 -38.48 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -74.98 -41.66 59.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.985 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.945 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -73.28 -51.97 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.248 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 3.5 mmp_? -47.44 -37.54 11.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -86.72 -45.87 10.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.2 mt-10 -87.51 -44.63 11.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.71 ' HG3' ' NH1' ' B' ' 39' ' ' ARG . 5.0 tp10 -61.34 -46.64 89.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.807 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -56.96 -34.58 68.2 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -64.4 -44.0 92.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.072 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -60.0 -39.59 86.29 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.365 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.45 90.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.86 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.82 -48.29 79.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.338 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 31.5 m -66.27 -38.77 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.379 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' HG2' ' H ' ' A' ' 52' ' ' GLU . 74.7 tt0 59.47 -131.87 1.0 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.539 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.575 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 38.9 tt0 -178.76 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.064 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HG3' HH11 ' A' ' 53' ' ' ARG . 39.1 ttt85 -50.62 -35.36 30.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.65 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 t -158.32 -35.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.629 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.7 mtm180 68.98 143.91 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.27 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.6 tppt? 74.68 -42.33 0.49 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.676 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.6 tp . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.887 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.821 ' H3 ' HD22 ' B' ' 4' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.616 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 39.3 tt0 -83.03 -28.23 29.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.917 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -75.95 -23.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.777 0.799 . . . . 0.0 110.869 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.821 HD22 ' H3 ' ' B' ' 1' ' ' SER . 1.3 mp -85.73 -44.55 12.44 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.014 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.648 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.1 tmtt? -80.38 -24.46 39.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.451 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.729 HG23 ' H ' ' B' ' 7' ' ' LEU . 4.2 tt -53.2 -56.44 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-O 121.744 0.783 . . . . 0.0 109.397 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.926 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.55 -6.02 50.48 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.52 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.426 HD21 HG21 ' B' ' 12' ' ' THR . 51.0 t30 59.11 35.96 23.95 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.547 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.542 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.7 m120 61.85 130.34 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.5 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.11 HD13 ' HB2' ' A' ' 30' ' ' GLU . 18.5 pt -55.9 -30.18 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.697 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -56.8 -51.04 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.94 0.4 . . . . 0.0 111.34 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 93.6 m -78.52 -37.97 41.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.272 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.675 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -62.97 -54.96 30.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.713 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.935 ' HA ' HD11 ' A' ' 22' ' ' LEU . 6.9 ptm180 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 111.281 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.07 -51.78 7.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.229 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.675 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.3 pt20 -63.16 -31.86 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 109.928 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.77 -24.43 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.218 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.6 tpm_? -48.47 -34.13 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.234 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -61.43 -36.38 80.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -104.74 -143.64 0.37 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.762 HG22 ' H ' ' B' ' 22' ' ' LEU . 7.4 m -109.84 178.26 4.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.863 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.48 -14.89 32.65 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-O 120.745 0.307 . . . . 0.0 110.219 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.695 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 17.5 tp10 -39.76 -28.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.53 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.467 HG22 HD11 ' B' ' 13' ' ' LEU . 75.1 m -51.45 -43.18 62.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.616 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.906 HD12 ' H ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -65.06 -43.71 91.37 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.078 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.906 ' H ' HD12 ' B' ' 25' ' ' LEU . 78.3 tt0 -56.76 -24.12 47.85 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.695 ' HG3' ' O ' ' B' ' 23' ' ' GLU . 25.7 mt-10 -83.38 -53.96 5.33 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' B' ' 28' ' ' MET . 13.0 mmt -89.38 -45.19 9.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 32' ' ' LEU . 27.9 tp -58.74 -42.03 87.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.029 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.429 ' O ' HG13 ' B' ' 34' ' ' VAL . 84.8 tt0 -61.82 -31.57 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.07 0.462 . . . . 0.0 111.017 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.5 mmtp -87.49 -28.79 21.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.51 0.672 . . . . 0.0 109.628 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.012 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 39.5 tp -67.07 -24.53 65.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.922 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.06 ' HA ' HD11 ' A' ' 32' ' ' LEU . 4.3 pt-20 -85.12 -40.99 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.792 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' B' ' 31' ' ' LYS . 21.6 m -68.83 -35.25 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.327 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.689 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 7.5 p -59.7 -50.44 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.911 ' HB ' HG22 ' A' ' 36' ' ' VAL . 14.8 p -78.72 -19.61 13.13 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.957 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 41.8 t30 -58.38 -51.81 68.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 109.697 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.12 -42.39 94.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.147 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.713 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -72.83 -29.22 63.06 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.579 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.899 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.2 mmm180 -67.04 -41.01 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.188 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -79.36 -30.69 42.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.814 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 51.3 mt-10 -87.21 -39.43 15.47 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.945 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 23.8 mm-40 -66.29 -47.76 72.57 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.003 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.4 m -53.95 -30.46 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -74.59 -45.39 45.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.456 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.64 92.08 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.746 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.52 88.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' B' ' 50' ' ' VAL . 12.0 pt-20 -70.69 -47.21 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' B' ' 49' ' ' GLU . 41.7 t -81.07 62.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 110.627 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.44 -132.77 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.308 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -161.36 -28.65 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.713 0.292 . . . . 0.0 110.812 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' B' ' 53' ' ' ARG . 33.0 tpt85 -48.71 -37.7 19.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.732 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 82.1 p -133.15 -135.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -159.59 126.6 4.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.974 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 tttm 70.86 -59.15 0.55 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 99.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.842 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.556 ' CA ' HD23 ' A' ' 4' ' ' LEU . 53.9 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.669 ' HA ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -72.88 -28.87 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.425 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -76.27 -21.02 56.81 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.822 0.82 . . . . 0.0 109.783 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.719 HD11 HD22 ' B' ' 37' ' ' ASN . 2.4 mm? -85.56 -44.16 12.9 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.458 -1.247 . . . . 0.0 110.09 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.669 ' HG3' ' HA ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -83.33 -20.0 35.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.578 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.96 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.96 -59.61 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -85.24 -10.16 56.89 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.179 -1.373 . . . . 0.0 107.3 177.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 5' ' ' LYS . 15.4 t-20 62.89 37.44 12.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.505 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.704 HD21 ' HB3' ' A' ' 4' ' ' LEU . 3.2 m120 60.29 125.47 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.382 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.737 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.88 -34.42 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.09 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.2 ptm180 -57.06 -52.89 63.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 90.8 m -73.66 -38.4 64.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.655 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.4 tt -58.26 -56.45 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.271 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.655 ' HG2' HD21 ' B' ' 22' ' ' LEU . 78.5 mtp180 -44.24 -32.4 1.26 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.865 0.365 . . . . 0.0 110.624 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 -46.55 22.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 12' ' ' THR . 33.0 mt-30 -63.46 -37.46 87.4 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.826 0.822 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.53 -18.84 30.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.682 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 79.9 ttt180 -42.2 -31.41 0.38 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.14 0.495 . . . . 0.0 110.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.77 42.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.443 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ALA . 44.0 t -172.84 172.7 4.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 22' ' ' LEU . 57.7 m -75.43 161.83 28.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.058 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.07 -13.69 5.26 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.397 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -39.82 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 13' ' ' LEU . 98.1 m -51.37 -44.12 62.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -66.15 -43.27 87.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.689 178.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 1.021 ' HG2' HD12 ' B' ' 10' ' ' ILE . 3.4 tm-20 -54.12 -27.56 34.0 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 16.0 tp10 -83.65 -53.61 5.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.429 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.645 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . 23.9 mmt -88.43 -45.94 9.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.843 HD12 HD23 ' B' ' 32' ' ' LEU . 61.2 tp -59.32 -25.96 64.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.873 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.013 ' HB2' HD13 ' B' ' 10' ' ' ILE . 39.4 tp10 -76.66 -31.06 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 111.031 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 34' ' ' VAL . 49.6 mmtt -86.2 -31.75 21.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.686 0.755 . . . . 0.0 109.525 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.042 HD11 ' HA ' ' B' ' 33' ' ' GLU . 33.3 tp -69.41 -24.17 63.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.02 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.038 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -85.4 -38.2 18.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.0 m -71.35 -36.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.147 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.615 HG22 HG11 ' B' ' 36' ' ' VAL . 7.4 p -56.21 -48.84 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -79.28 -27.92 13.25 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.683 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 33.1 t-20 -43.96 -43.79 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.47 -40.73 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.255 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.81 ' HG3' ' HG2' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -70.03 -56.87 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.19 178.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.734 ' HG2' HG22 ' A' ' 36' ' ' VAL . 19.6 mmt180 -44.9 -35.89 3.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.38 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -86.57 -53.51 4.93 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 34.0 mp0 -86.32 -40.79 15.11 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.121 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 4.4 tp10 -59.74 -47.55 85.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -54.79 -34.29 62.49 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.95 -41.52 82.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.111 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 43' ' ' GLU . . . -63.82 -39.82 95.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.638 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . -62.15 -45.25 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.67 66.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.98 -46.91 85.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.679 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 51' ' ' GLU . 7.1 p -64.71 -46.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.528 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 24.7 pt-20 -73.43 135.25 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.289 . . . . 0.0 110.95 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.77 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -178.16 53.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.8 p 59.77 132.41 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.626 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -69.78 -140.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.9 134.9 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.321 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 57' ' ' LEU . 3.5 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.059 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.978 ' HA ' HD23 ' B' ' 4' ' ' LEU . 52.3 m . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 40' ' ' ARG . 42.8 tp10 -83.37 -35.88 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.539 ' C ' HG22 ' B' ' 6' ' ' ILE . . . -79.98 -21.71 43.36 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.83 0.824 . . . . 0.0 110.338 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.978 HD23 ' HA ' ' B' ' 1' ' ' SER . 1.7 mm? -85.4 -39.92 17.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.749 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.2 tmtp? -82.58 -28.56 30.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.288 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.694 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.42 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.549 0.69 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.678 HD11 ' N ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -88.29 -13.09 41.71 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.992 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 61.04 34.36 19.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.543 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.9 m120 61.15 126.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.774 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.021 HD12 ' HG2' ' A' ' 26' ' ' GLU . 8.0 pt -59.76 -32.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.201 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.7 ptp85 -57.06 -50.91 71.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 95.7 m -72.9 -32.64 65.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 110.556 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.827 ' HA ' HE21 ' B' ' 16' ' ' GLN . 4.7 tp -63.13 -59.54 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.293 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.626 ' HD2' ' HG3' ' A' ' 26' ' ' GLU . 13.2 mtp-105 -46.51 -25.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.703 0.287 . . . . 0.0 111.011 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.26 -51.57 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.041 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' B' ' 13' ' ' LEU . 27.3 pt20 -64.12 -35.3 80.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 0.0 109.726 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' B' ' 13' ' ' LEU . . . -85.82 -19.57 30.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 80.0 ttt180 -44.38 -29.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -101.85 36.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.458 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 17' ' ' ALA . 68.8 m -165.58 -166.3 0.95 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.958 0.408 . . . . 0.0 111.464 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.485 HG22 ' H ' ' B' ' 23' ' ' GLU . 57.6 m -92.6 159.56 15.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.043 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.97 -13.04 21.65 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.283 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.485 ' H ' HG22 ' B' ' 21' ' ' THR . 42.9 tt0 -39.77 -24.69 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.807 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.598 HG21 ' CD1' ' B' ' 13' ' ' LEU . 99.2 m -51.6 -40.33 59.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.043 HD21 HD12 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -67.33 -42.96 82.72 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.985 0.422 . . . . 0.0 109.88 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.911 ' H ' HD12 ' B' ' 25' ' ' LEU . 5.7 tm-20 -57.49 -24.17 54.33 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 19.6 tt0 -83.48 -57.73 3.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.159 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 60.7 mtt -89.75 -44.27 10.11 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.998 HD12 HD23 ' A' ' 32' ' ' LEU . 55.7 tp -61.84 -28.4 69.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.662 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.9 tt0 -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.906 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.66 ' O ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -86.59 -32.37 20.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.929 0.871 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.038 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.6 tp -63.7 -25.21 68.1 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.629 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.042 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.0 pt-20 -85.33 -38.53 18.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.577 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 30' ' ' GLU . 15.3 m -65.69 -33.78 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.82 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 35.5 m -56.59 -45.57 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.675 ' HB ' ' HG2' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -83.51 -20.33 9.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.836 178.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.719 HD22 HD11 ' A' ' 4' ' ' LEU . 30.9 t-20 -57.5 -35.86 70.78 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -81.43 -40.17 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.716 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.121 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -77.4 -49.75 14.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.693 -179.573 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.675 ' HG2' ' HB ' ' B' ' 36' ' ' VAL . 21.7 mmm180 -44.7 -39.09 4.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.07 -45.28 11.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.32 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.65 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.7 tt0 -88.04 -46.81 9.02 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 7.6 tp10 -60.95 -45.93 92.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.099 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.4 t -55.32 -35.54 65.25 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -65.53 -41.8 92.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.725 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.616 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -59.9 -41.37 91.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.265 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -44.83 92.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.83 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.42 93.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.799 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.02 -42.07 97.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 46' ' ' ALA . 88.1 t -59.17 -52.68 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.287 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.65 127.67 33.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' B' ' 53' ' ' ARG . 2.5 tm-20 179.77 48.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.969 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' B' ' 52' ' ' GLU . 99.1 mtt180 72.87 -55.5 0.68 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.553 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -165.91 138.28 4.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.399 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' B' ' 55' ' ' ARG . 43.6 mtp85 -58.31 -51.01 71.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.146 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -176.23 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.815 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.5 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 65.7 mm-40 -71.82 -26.82 62.55 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.923 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -68.14 -26.2 65.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.907 0.86 . . . . 0.0 110.38 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -85.13 -46.87 10.7 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.742 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 49.7 tptt -80.32 -23.37 40.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.89 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 32' ' ' LEU . 7.3 tt -54.88 -52.03 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-O 121.994 0.902 . . . . 0.0 110.148 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.954 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -99.84 -10.37 21.85 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.052 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' ND2' ' NZ ' ' A' ' 5' ' ' LYS . 4.5 m120 64.87 31.07 11.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.378 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.5 m120 61.76 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.504 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.784 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.12 -30.5 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.699 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.492 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 7.4 ptm180 -53.45 -44.83 69.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.975 0.416 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -88.09 -38.75 15.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.508 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.4 tt -66.19 -56.67 10.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.943 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.825 ' HA ' HD11 ' B' ' 22' ' ' LEU . 52.0 ttt-85 -45.47 -31.01 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.829 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.38 -52.88 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.81 HE21 ' HA ' ' A' ' 13' ' ' LEU . 27.9 pt20 -61.35 -34.87 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.378 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.6 -20.91 27.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.931 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 52.4 ttt-85 -51.0 -33.4 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.673 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 12.5 pt-20 -65.16 -33.69 76.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -98.03 -146.28 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.49 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 22' ' ' LEU . 29.9 m -109.25 165.58 11.51 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.91 -15.77 14.41 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.528 0.204 . . . . 0.0 110.478 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HD23 ' A' ' 22' ' ' LEU . 16.7 pt-20 -41.06 -27.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.56 HG21 ' HB1' ' A' ' 17' ' ' ALA . 5.1 t -53.11 -43.1 66.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.17 178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.976 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.1 pp -66.45 -45.82 78.5 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.976 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.0 tm-20 -54.81 -26.79 37.26 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.0 tt0 -81.21 -53.61 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.935 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.488 ' SD ' ' HA ' ' A' ' 7' ' ' LEU . 64.7 mtt -89.44 -47.08 8.24 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.004 HD12 HD23 ' B' ' 32' ' ' LEU . 19.2 tp -54.46 -41.35 69.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.844 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 33.8 tt0 -61.49 -30.46 70.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.7 mmtp -86.52 -30.78 21.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.871 0.843 . . . . 0.0 109.465 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.3 tp -68.28 -24.81 64.91 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.308 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.047 ' HA ' HD11 ' B' ' 32' ' ' LEU . 19.5 pt-20 -86.3 -43.47 12.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.804 HG22 ' HA ' ' A' ' 31' ' ' LYS . 30.5 m -63.98 -34.03 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.487 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.83 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 6.7 m -55.94 -51.79 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -74.98 -20.52 16.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.469 178.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HB2' ' HA ' ' A' ' 34' ' ' VAL . 29.2 t-20 -54.26 -38.45 65.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.641 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 57.1 mm-40 -82.71 -42.81 17.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.329 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.035 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.65 -54.23 14.89 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.754 ' HE ' ' HA ' ' A' ' 40' ' ' ARG . 2.9 mmp_? -46.15 -41.27 12.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -83.84 -36.46 23.44 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 38.3 tt0 -80.64 -43.7 20.04 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 111.626 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.096 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.1 mm-40 -57.39 -47.5 81.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.2 m -56.17 -34.45 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -69.02 -41.47 77.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.4 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -61.96 -39.51 92.38 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.898 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.57 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.322 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.815 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 24.8 pt-20 -63.47 -40.7 97.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.689 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 46' ' ' ALA . 30.7 m -76.87 40.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -175.23 131.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 23.8 pt-20 178.14 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.834 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 54' ' ' THR . 76.5 ttt180 -176.96 50.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.459 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 53' ' ' ARG . 13.9 t 51.27 129.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.766 0.826 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -65.01 -49.4 70.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.294 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -174.54 -45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.99 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.6 tt0 -78.14 -23.2 47.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.647 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -86.56 -21.98 26.57 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.984 0.897 . . . . 0.0 109.939 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' N ' HD23 ' B' ' 4' ' ' LEU . 1.1 mt -84.37 -42.42 15.73 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.079 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.673 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 14.0 tmtt? -84.75 -23.88 29.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.248 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.955 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.15 -53.3 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.805 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.59 -8.92 39.81 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.772 178.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 64.17 25.16 13.6 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.622 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 71.3 m-80 61.39 125.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.646 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -46.67 -31.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.156 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.487 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 2.5 ptm85 -56.75 -50.18 73.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.948 0.404 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 92.6 m -79.67 -37.04 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.409 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.644 HD23 ' C ' ' B' ' 13' ' ' LEU . 6.4 tt -61.45 -55.31 32.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.576 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 78.0 mtp180 -45.46 -34.09 3.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.69 -50.65 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.951 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.566 ' CG ' ' HA ' ' B' ' 13' ' ' LEU . 0.1 OUTLIER -66.35 -29.89 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.418 0.627 . . . . 0.0 110.309 -179.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.09 -24.08 24.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.281 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' NE ' ' B' ' 18' ' ' ARG . 1.8 tpm_? -42.19 -32.66 0.51 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.408 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.78 33.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.608 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 17' ' ' ALA . 50.2 m -163.37 -160.78 0.62 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.891 0.377 . . . . 0.0 111.578 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.558 HG22 ' N ' ' B' ' 22' ' ' LEU . 28.5 m -100.57 167.83 10.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.925 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -58.67 -15.15 10.51 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 120.623 0.249 . . . . 0.0 110.397 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' B' ' 27' ' ' GLU . 24.6 pt-20 -40.58 -27.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.346 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.511 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -51.64 -42.6 62.18 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.929 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.971 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.1 pp -67.22 -45.96 75.24 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.971 ' H ' HD12 ' B' ' 25' ' ' LEU . 3.9 tm-20 -53.35 -25.49 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 4.9 mm-40 -81.87 -55.16 4.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.908 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 59.7 mtt -88.97 -46.16 9.1 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.089 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.954 ' HG ' HD22 ' A' ' 7' ' ' LEU . 53.8 tp -54.74 -32.98 60.55 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.663 ' O ' HG13 ' B' ' 34' ' ' VAL . 85.5 tt0 -71.46 -32.5 68.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 111.213 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.673 ' HA ' HG22 ' B' ' 34' ' ' VAL . 25.4 mmtp -87.13 -33.67 19.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.901 0.858 . . . . 0.0 110.006 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.047 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -67.17 -23.38 65.77 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.85 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.008 ' HA ' HD11 ' A' ' 32' ' ' LEU . 14.4 pt-20 -86.03 -44.43 12.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.576 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.4 m -60.41 -35.93 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.835 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 15.2 m -55.29 -51.05 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -76.07 -20.61 15.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.579 178.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.463 ' OD1' HD11 ' A' ' 4' ' ' LEU . 29.9 t30 -56.39 -36.96 69.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.629 ' HB2' ' HE ' ' B' ' 39' ' ' ARG . 55.9 mt-10 -83.55 -44.21 14.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.096 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.48 -50.96 40.41 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.745 ' HE ' ' HA ' ' B' ' 40' ' ' ARG . 2.9 mmp_? -47.08 -42.23 18.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.608 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 37' ' ' ASN . 12.5 pt-20 -82.9 -37.36 24.35 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.1 mm-40 -77.27 -38.79 50.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.966 0.413 . . . . 0.0 111.53 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.035 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 12.6 mm-40 -59.11 -47.39 85.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -56.39 -33.93 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -69.95 -41.62 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.492 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.54 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . . . -61.97 -40.44 95.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.834 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.393 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.16 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.875 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.54 ' OE2' ' HA ' ' B' ' 46' ' ' ALA . 15.8 pt-20 -64.61 -40.73 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.647 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 46' ' ' ALA . 34.7 m -77.02 43.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.691 0.281 . . . . 0.0 111.71 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -171.34 135.52 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.038 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -177.38 -50.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.552 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -177.62 41.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.703 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m 64.82 132.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.351 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -69.48 -140.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.3 -47.01 71.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 57' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.52 ' N ' HD22 ' A' ' 4' ' ' LEU . 46.9 t . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.57 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 42.9 tp10 -76.07 -35.76 59.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.766 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -77.87 -20.83 52.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.879 0.847 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -84.0 -43.37 15.24 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.779 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -84.79 -22.54 29.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.5 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 32' ' ' LEU . 4.3 tt -54.43 -46.26 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.36 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -105.15 -10.77 16.91 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.3 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.05 33.46 14.66 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.2 m120 60.43 127.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.41 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.89 -30.24 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.115 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 14.5 ptp180 -53.06 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 94.2 m -84.55 -36.0 22.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.528 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.851 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -64.81 -55.93 16.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.994 ' HA ' HD11 ' B' ' 22' ' ' LEU . 11.7 ptm180 -44.41 -34.43 2.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.528 0.204 . . . . 0.0 111.345 -178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.73 9.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.236 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.851 HE21 ' HA ' ' A' ' 13' ' ' LEU . 21.9 pt20 -60.72 -35.42 76.29 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.697 0.76 . . . . 0.0 109.505 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -86.43 -21.64 26.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.729 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 3.5 tmt_? -51.22 -32.02 22.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -62.6 -36.08 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.7 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -104.12 -144.54 0.37 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.506 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 22' ' ' LEU . 27.6 m -105.77 166.96 10.1 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.725 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.031 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -59.2 -14.6 11.24 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 89.1 tt0 -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.769 0.319 . . . . 0.0 110.461 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 5.4 t -51.81 -42.78 62.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.059 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -67.34 -43.06 82.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' A' ' 25' ' ' LEU . 36.0 tt0 -54.38 -25.31 23.69 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 4.5 mm-40 -83.29 -52.87 6.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.808 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.42 -46.65 8.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.217 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.84 HD12 HD23 ' B' ' 32' ' ' LEU . 31.5 tp -56.67 -34.54 67.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' O ' HG13 ' A' ' 34' ' ' VAL . 40.0 tt0 -71.11 -33.81 70.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.0 111.566 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.69 ' HA ' HG22 ' A' ' 34' ' ' VAL . 28.7 mmtp -87.08 -28.63 22.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.641 0.734 . . . . 0.0 110.046 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.113 HD11 ' HA ' ' B' ' 33' ' ' GLU . 35.4 tp -69.85 -25.55 63.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.691 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.036 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.76 -32.44 23.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.515 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' A' ' 31' ' ' LYS . 18.2 m -74.51 -38.43 46.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.4 m -54.38 -47.09 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.879 HG22 ' HG2' ' A' ' 40' ' ' ARG . 11.8 p -85.4 -19.35 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.729 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 22.8 t30 -55.33 -38.6 68.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.15 -40.65 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.709 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.956 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.2 -53.18 18.18 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.753 179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.879 ' HG2' HG22 ' A' ' 36' ' ' VAL . 9.0 mmt180 -45.04 -41.61 7.73 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.704 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -87.1 -44.56 11.44 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 43.4 tt0 -82.06 -40.86 21.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 10.2 tm-20 -56.89 -47.69 79.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -35.68 61.92 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.44 -41.73 88.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.025 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -64.08 -40.15 95.62 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.621 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.88 -47.23 81.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.71 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -34.93 75.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.521 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.18 -49.89 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.015 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 23.8 m -72.11 -43.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.292 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.73 134.66 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 54' ' ' THR . 24.4 pt-20 -177.2 -141.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.264 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 53' ' ' ARG . 51.1 ttt-85 -64.95 -41.0 95.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.79 0.329 . . . . 0.0 110.583 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.407 ' H ' ' HG3' ' A' ' 52' ' ' GLU . 57.4 p -152.93 137.8 17.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 141.04 45.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.777 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.586 ' NZ ' ' HB2' ' A' ' 56' ' ' LYS . 10.1 mtmp? -77.5 44.9 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.002 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.678 ' HA ' HD22 ' B' ' 4' ' ' LEU . 47.7 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 39.0 tt0 -71.78 -24.17 61.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.42 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.678 ' CB ' HG13 ' A' ' 36' ' ' VAL . . . -73.89 -24.21 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.219 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' B' ' 1' ' ' SER . 0.5 OUTLIER -83.44 -44.15 15.07 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.955 -179.317 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -82.24 -24.31 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.885 HG21 HD13 ' B' ' 32' ' ' LEU . 3.9 tt -54.36 -45.58 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-O 121.679 0.752 . . . . 0.0 109.407 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.81 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.1 -13.75 15.63 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.228 179.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.93 32.58 8.44 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.836 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.506 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 2.4 m120 60.02 128.45 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.196 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.707 ' N ' HD11 ' B' ' 7' ' ' LEU . 0.2 OUTLIER -52.63 -29.12 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.757 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.485 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.0 ptp180 -55.58 -49.48 72.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 89.9 m -86.47 -38.22 17.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.639 ' HA ' ' HG2' ' B' ' 16' ' ' GLN . 1.5 tm? -61.24 -52.05 66.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.967 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.866 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.0 ttt-85 -48.63 -36.4 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.517 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' B' ' 18' ' ' ARG . . . -83.37 -48.64 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 14.6 pt20 -60.21 -28.13 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.426 0.632 . . . . 0.0 109.924 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' B' ' 24' ' ' THR . . . -85.24 -24.35 27.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.524 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.755 ' HG2' ' O ' ' B' ' 14' ' ' ARG . 2.4 mmm180 -42.91 -32.29 0.61 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.15 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -81.41 28.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 17' ' ' ALA . 89.0 p -167.29 -156.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.484 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.536 HG22 ' N ' ' B' ' 22' ' ' LEU . 35.1 m -102.65 165.39 11.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.509 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.994 HD11 ' HA ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -58.66 -14.75 9.18 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.479 ' N ' HD23 ' B' ' 22' ' ' LEU . 89.0 tt0 -40.69 -26.29 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 110.494 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.54 ' OG1' HD21 ' B' ' 13' ' ' LEU . 5.7 t -52.75 -40.62 63.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.949 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -67.95 -42.3 81.14 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.156 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.93 ' H ' HD12 ' B' ' 25' ' ' LEU . 71.0 tt0 -57.42 -23.97 52.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 80.4 tt0 -84.23 -55.83 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.911 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.604 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 60.9 mtt -90.03 -45.34 9.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 32' ' ' LEU . 50.8 tp -63.35 -23.28 67.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.6 ' O ' HG13 ' B' ' 34' ' ' VAL . 30.6 tt0 -77.93 -33.91 51.47 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.036 0.446 . . . . 0.0 111.18 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.4 mmtp -86.37 -30.13 22.4 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.936 0.874 . . . . 0.0 109.237 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.036 HD11 ' HA ' ' A' ' 33' ' ' GLU . 37.2 tp -66.17 -24.95 66.74 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.299 -1.318 . . . . 0.0 109.76 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.113 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.6 pt-20 -85.58 -38.14 18.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.555 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.9 m -67.77 -34.89 70.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.155 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.668 HG22 ' O ' ' B' ' 32' ' ' LEU . 31.2 m -55.63 -42.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' B' ' 40' ' ' ARG . 0.1 OUTLIER -85.16 -26.57 6.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.229 178.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 38.3 t30 -47.81 -39.09 17.31 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 20.2 pt-20 -87.99 -45.14 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.474 177.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.967 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -72.32 -57.25 4.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.019 0.438 . . . . 0.0 111.261 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.668 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.5 tpp180 -48.29 -32.77 7.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -85.78 -45.36 11.69 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 96.1 mt-10 -80.22 -38.84 30.29 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.096 0.474 . . . . 0.0 112.022 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.956 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 24.5 mm-40 -59.74 -46.3 89.55 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -54.66 -33.31 60.55 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -70.98 -44.41 66.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.514 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -61.92 -38.12 87.24 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.34 86.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.15 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.126 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.86 -42.65 98.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.022 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 46' ' ' ALA . 79.1 t -64.75 -51.69 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.255 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -66.55 137.21 56.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -173.51 -42.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.497 ' HG2' HG23 ' B' ' 54' ' ' THR . 38.9 ttt85 -170.02 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.576 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.811 ' HB ' HH21 ' B' ' 55' ' ' ARG . 70.2 p -148.62 130.51 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.727 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.811 HH21 ' HB ' ' B' ' 54' ' ' THR . 0.0 OUTLIER -65.21 134.18 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.374 0.607 . . . . 0.0 111.84 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.81 143.8 52.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.786 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.472 HD12 ' N ' ' B' ' 57' ' ' LEU . 7.1 mp . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.778 ' N ' HD23 ' A' ' 4' ' ' LEU . 89.1 p . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.576 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.8 tt0 -82.59 -26.84 31.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.735 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -81.03 -27.8 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.567 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 1' ' ' SER . 2.2 mm? -82.73 -34.28 27.26 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.703 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.6 tmtt? -85.91 -27.68 24.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.972 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 3.7 tt -52.97 -46.34 53.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.462 0.648 . . . . 0.0 109.504 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.982 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -105.26 -6.92 19.29 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.241 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 12' ' ' THR . 11.7 t-20 60.57 31.48 20.24 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.466 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.679 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.6 m120 63.52 130.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.57 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.855 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -23.36 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.206 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.631 HH11 ' HB3' ' A' ' 9' ' ' ASN . 3.4 ptp85 -56.82 -53.68 55.03 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 13.1 t -74.41 -30.25 61.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.462 . . . . 0.0 110.451 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 HD22 ' B' ' 25' ' ' LEU . 6.7 tp -61.87 -53.66 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.89 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.567 HH12 ' HD3' ' A' ' 18' ' ' ARG . 29.6 tpt85 -47.79 -28.48 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.69 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.22 -51.4 5.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.536 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.7 pt20 -63.46 -33.75 76.24 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.438 0.637 . . . . 0.0 110.219 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -86.2 -20.48 28.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.412 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD3' HH12 ' A' ' 14' ' ' ARG . 11.7 tpt180 -44.26 -29.31 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.06 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -105.18 40.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.321 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.5 m -160.95 -146.23 0.13 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.666 0.27 . . . . 0.0 111.358 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 22' ' ' LEU . 39.5 m -126.41 162.66 25.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.955 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -56.2 -15.01 3.18 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 120.624 0.249 . . . . 0.0 110.888 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -40.22 -27.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.732 0.301 . . . . 0.0 110.555 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 13' ' ' LEU . 5.5 t -56.55 -42.46 78.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.522 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.955 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.04 -42.36 84.97 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 120.929 0.395 . . . . 0.0 110.045 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.917 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.31 -26.35 51.86 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.5 tt0 -83.95 -51.84 6.82 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.996 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.5 mmt -89.52 -48.55 7.24 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.831 HD12 HD23 ' B' ' 32' ' ' LEU . 62.0 tp -60.72 -25.68 66.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.444 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 3.3 tp10 -77.29 -32.76 55.67 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.974 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.2 mmtp -87.02 -31.45 20.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.703 0.763 . . . . 0.0 109.752 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.055 HD11 ' HA ' ' B' ' 33' ' ' GLU . 42.8 tp -67.07 -24.57 65.98 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.551 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.056 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -86.88 -42.25 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.953 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 31' ' ' LYS . 25.0 m -65.27 -34.38 70.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.717 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 8.1 p -56.56 -50.41 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -73.67 -30.36 28.99 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.331 177.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' OD1' HD21 ' B' ' 4' ' ' LEU . 29.5 t30 -48.12 -41.19 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.62 -34.94 77.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.133 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.105 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -76.11 -46.72 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.492 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.707 ' HD3' ' HB3' ' B' ' 2' ' ' GLU . 8.5 mmp_? -51.2 -37.1 44.81 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.58 -46.17 9.79 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.297 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -88.18 -45.13 10.36 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.963 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 4.1 tm-20 -53.81 -48.16 70.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -59.74 -36.74 77.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -61.01 -42.09 97.8 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.175 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.69 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -60.75 -45.62 93.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.246 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' ' HB ' ' A' ' 50' ' ' VAL . . . -60.56 -38.52 84.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.38 -42.88 88.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.326 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 13.8 mm-40 -66.12 -38.04 87.2 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.343 0.592 . . . . 0.0 109.84 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 46' ' ' ALA . 85.5 t -48.82 -38.99 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HG3' HG12 ' A' ' 50' ' ' VAL . 95.4 mt-10 -146.42 137.94 24.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -146.78 44.61 1.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.256 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 55.3 39.3 31.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.0 p -152.65 133.23 13.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' HD3' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -69.02 132.35 46.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -175.99 46.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 0.0 110.443 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.769 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.756 ' N ' HD23 ' B' ' 4' ' ' LEU . 88.6 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.61 0.243 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.707 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . 89.1 tt0 -79.77 -27.94 40.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.567 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.02 -28.27 39.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.743 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.756 HD23 ' N ' ' B' ' 1' ' ' SER . 2.2 mm? -84.14 -35.77 23.38 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.9 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -81.02 -30.75 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.413 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.893 HG21 HD13 ' B' ' 32' ' ' LEU . 3.1 tt -54.65 -41.29 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-O 121.8 0.81 . . . . 0.0 109.646 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -104.21 -19.27 14.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.092 -1.413 . . . . 0.0 110.061 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 64.92 30.09 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.663 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.3 m120 62.44 127.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.511 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.764 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -56.8 -27.79 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.453 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.528 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.4 ptm180 -55.48 -52.1 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 97.3 m -73.57 -33.63 64.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 25' ' ' LEU . 5.4 tp -62.15 -59.23 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.386 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.867 ' HG3' HD21 ' A' ' 22' ' ' LEU . 35.0 ttt-85 -46.02 -25.73 0.61 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.29 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.05 -50.48 6.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.944 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 12.8 pt20 -64.34 -34.93 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.063 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.603 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -86.44 -19.84 29.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.378 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.7 tpt180 -42.49 -30.15 0.33 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -105.6 42.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.307 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.42 ' N ' ' O ' ' B' ' 17' ' ' ALA . 79.8 p -169.27 -171.17 1.22 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 111.525 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.589 HG22 ' H ' ' B' ' 23' ' ' GLU . 55.9 m -86.77 155.89 20.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.048 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -63.16 -13.24 34.71 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.539 179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.589 ' H ' HG22 ' B' ' 21' ' ' THR . 12.5 pt-20 -39.26 -24.89 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.938 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.61 HG21 HD13 ' B' ' 13' ' ' LEU . 93.8 m -50.55 -41.24 53.83 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.048 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.046 0.451 . . . . 0.0 109.946 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.933 ' H ' HD12 ' B' ' 25' ' ' LEU . 28.3 tt0 -55.61 -24.9 35.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 34.6 tt0 -83.71 -53.78 5.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.931 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.8 mtt -89.75 -46.03 8.88 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.982 ' HG ' HD22 ' A' ' 7' ' ' LEU . 59.9 tp -58.21 -36.77 73.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 34' ' ' VAL . 83.0 tt0 -67.55 -34.56 77.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.562 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' B' ' 34' ' ' VAL . 59.0 mmtt -86.82 -29.5 22.21 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 121.811 0.815 . . . . 0.0 109.628 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.056 HD11 ' HA ' ' A' ' 33' ' ' GLU . 46.5 tp -68.64 -24.35 64.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.505 -1.225 . . . . 0.0 109.894 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.055 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.9 pt-20 -85.93 -43.71 12.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' B' ' 31' ' ' LYS . 29.0 m -64.69 -34.27 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.84 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.704 HG12 ' O ' ' B' ' 32' ' ' LEU . 14.9 p -56.46 -49.84 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -74.29 -35.56 40.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.054 177.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.553 ' OD1' HD21 ' A' ' 4' ' ' LEU . 28.0 t30 -42.88 -41.07 3.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -69.22 -40.18 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.963 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -74.53 -47.7 31.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.598 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' B' ' 36' ' ' VAL . 20.5 mmm180 -47.68 -39.52 17.57 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -87.46 -44.33 11.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.618 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 66.9 mm-40 -87.14 -45.19 10.91 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.105 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -53.21 -50.14 65.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -58.54 -37.27 75.33 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -61.31 -41.37 96.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.379 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.875 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -65.18 -47.99 75.03 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.617 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.14 79.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.31 90.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' B' ' 46' ' ' ALA . 16.8 pt-20 -72.75 -26.56 61.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.875 HG23 ' O ' ' B' ' 46' ' ' ALA . 70.1 t -52.67 -38.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.486 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.52 143.67 8.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.432 . . . . 0.0 111.339 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.437 ' OE2' ' HA ' ' B' ' 49' ' ' GLU . 38.5 mp0 -138.51 -150.33 0.33 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.04 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -86.12 42.95 1.02 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 110.683 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 64.1 p -150.83 141.65 22.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.506 ' N ' ' HD3' ' B' ' 55' ' ' ARG . 0.2 OUTLIER -66.32 -132.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.998 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' B' ' 56' ' ' LYS . 87.4 tttt 62.25 52.23 3.22 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.159 0.504 . . . . 0.0 110.632 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.1 tp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.788 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.686 ' HA ' HD22 ' A' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 37.8 tt0 -73.97 -28.89 61.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -75.48 -20.92 58.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.991 0.901 . . . . 0.0 110.068 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -84.64 -46.2 11.74 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.794 -179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.3 -24.14 37.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.794 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 32' ' ' LEU . 3.6 tt -54.3 -45.94 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 121.628 0.727 . . . . 0.0 109.275 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.04 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -105.11 -9.76 17.58 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.471 -1.24 . . . . 0.0 108.988 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.9 35.4 16.38 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.3 m120 59.46 127.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.066 HD13 ' HB2' ' B' ' 30' ' ' GLU . 24.5 pt -53.14 -23.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.884 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -63.8 -51.32 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 95.8 m -73.84 -38.52 64.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.785 ' HA ' HE21 ' A' ' 16' ' ' GLN . 6.0 tt -63.37 -50.27 70.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.724 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' B' ' 22' ' ' LEU . 12.6 tpt180 -44.27 -35.06 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 -47.61 10.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.352 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.785 HE21 ' HA ' ' A' ' 13' ' ' LEU . 19.5 pt20 -63.85 -34.72 78.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 109.801 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.38 -21.35 27.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 29.4 tpt180 -45.33 -30.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.962 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -90.3 32.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.478 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ALA . 83.8 p -165.59 -159.56 0.42 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 111.306 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -101.39 -174.25 2.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.585 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.989 HD12 HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -70.76 -14.57 62.48 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.912 179.575 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' HH12 ' B' ' 14' ' ' ARG . 2.1 pp20? -40.43 -27.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.512 HG23 ' CD2' ' B' ' 25' ' ' LEU . 4.9 t -55.59 -42.07 74.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -67.27 -42.28 84.12 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.925 ' N ' HD12 ' A' ' 25' ' ' LEU . 27.3 tt0 -54.55 -26.62 33.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.2 tt0 -83.54 -49.99 8.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.047 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 mmt -89.26 -47.85 7.77 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.948 ' HG ' HD22 ' B' ' 7' ' ' LEU . 34.5 tp -56.42 -38.95 72.25 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.78 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 34' ' ' VAL . 33.9 tt0 -65.6 -34.97 79.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.777 ' HA ' HG22 ' A' ' 34' ' ' VAL . 29.4 mmtp -86.64 -26.81 24.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.594 0.711 . . . . 0.0 110.26 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' B' ' 33' ' ' GLU . 14.3 tp -70.43 -26.22 63.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.483 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.043 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.5 pt-20 -84.58 -34.39 23.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.62 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 31' ' ' LYS . 23.5 m -72.99 -38.95 57.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.293 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.751 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 16.4 m -54.15 -46.36 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.874 HG22 ' HG2' ' A' ' 40' ' ' ARG . 5.6 p -86.45 -18.77 8.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.767 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.634 ' ND2' HD11 ' B' ' 4' ' ' LEU . 29.5 t-20 -55.54 -42.88 75.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' HE ' ' A' ' 39' ' ' ARG . 10.3 pt-20 -73.91 -39.15 64.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.168 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.842 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -69.66 -54.76 12.36 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 121.704 0.764 . . . . 0.0 109.776 178.406 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.874 ' HG2' HG22 ' A' ' 36' ' ' VAL . 7.2 mmm180 -43.49 -40.47 3.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.801 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -83.98 -47.22 11.22 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 50.5 mt-10 -82.82 -42.02 18.37 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 112.092 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.901 ' HG2' ' HG3' ' B' ' 39' ' ' ARG . 23.7 tp10 -56.04 -48.47 75.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.0 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -55.5 -35.49 65.64 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -67.86 -40.99 83.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . . . -61.76 -41.38 97.6 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.85 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.485 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.79 -45.22 87.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.909 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HG3' HG23 ' A' ' 50' ' ' VAL . 16.1 pt-20 -63.79 -37.48 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.584 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.532 HG23 ' HG3' ' A' ' 49' ' ' GLU . 46.4 t -142.13 75.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 93.8 mt-10 -60.18 -53.4 58.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 tm-20 178.22 -53.19 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.472 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.4 ttt85 -78.41 -44.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.415 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.486 HG23 ' HA ' ' A' ' 50' ' ' VAL . 8.7 t -58.5 141.23 52.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.727 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -151.68 -136.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.54 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.617 ' HD3' ' HD2' ' B' ' 56' ' ' LYS . 49.5 mtmt -62.97 -49.96 72.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.709 0.29 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 57' ' ' LEU . 2.5 tm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.753 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.508 ' N ' HD23 ' B' ' 4' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.9 0.381 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.602 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.6 tp10 -75.37 -29.44 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.122 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -78.08 -26.88 48.36 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.749 0.785 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.634 HD11 ' ND2' ' A' ' 37' ' ' ASN . 1.8 mm? -84.2 -38.13 20.98 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.661 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.542 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 25.3 tptp -83.77 -28.22 28.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.517 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 32' ' ' LEU . 5.4 tt -55.56 -46.31 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.602 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.948 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.85 -13.18 15.6 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.202 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.542 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 73.1 m-80 66.73 32.5 6.84 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.06 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.8 m120 59.61 126.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.452 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.714 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -51.68 -26.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.888 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 3.4 ptm85 -58.65 -52.68 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' B' ' 11' ' ' ARG . 99.3 m -86.32 -33.91 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.214 0.53 . . . . 0.0 110.73 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.801 HD21 HG21 ' B' ' 24' ' ' THR . 2.1 tm? -61.07 -51.53 68.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.646 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.893 ' HG3' HD21 ' A' ' 22' ' ' LEU . 33.8 ttt85 -52.12 -34.46 44.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.22 -49.59 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.405 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.628 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 25.9 pt20 -62.93 -32.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 109.792 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' B' ' 24' ' ' THR . . . -86.22 -24.1 26.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.044 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.632 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 12.1 tpt180 -49.48 -34.36 16.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.722 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 16' ' ' GLN . 12.5 pt-20 -61.4 -34.87 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.2 m -103.76 -142.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.422 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.645 HG22 ' H ' ' B' ' 22' ' ' LEU . 16.2 m -113.91 174.23 6.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.142 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.977 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.68 -15.05 10.08 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 24.5 pt-20 -41.44 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 110.182 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.801 HG21 HD21 ' B' ' 13' ' ' LEU . 99.8 m -55.32 -41.28 72.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.074 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.98 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -68.06 -47.18 69.04 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.378 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.98 ' H ' HD12 ' B' ' 25' ' ' LEU . 24.0 pt-20 -56.05 -23.53 33.97 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.342 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 44.6 tt0 -83.42 -51.67 7.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.755 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 23.6 mmt -89.21 -49.02 6.99 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.018 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.04 ' HG ' HD22 ' A' ' 7' ' ' LEU . 19.4 tp -51.95 -41.54 62.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.388 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 1.066 ' HB2' HD13 ' A' ' 10' ' ' ILE . 42.9 tt0 -63.31 -34.27 77.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.617 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.679 ' HA ' HG22 ' B' ' 34' ' ' VAL . 8.5 mmpt? -83.69 -31.64 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.894 0.854 . . . . 0.0 109.481 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.043 HD11 ' HA ' ' A' ' 33' ' ' GLU . 24.9 tp -71.17 -24.89 62.33 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.103 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.911 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.1 pt-20 -85.83 -43.35 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' B' ' 31' ' ' LYS . 35.1 m -63.13 -35.82 73.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.074 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.744 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.5 p -55.54 -42.72 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -86.36 -20.15 7.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.449 177.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.62 ' ND2' HD11 ' A' ' 4' ' ' LEU . 29.8 t-20 -53.47 -38.66 63.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.902 ' HG3' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -84.44 -39.92 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.8 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.902 ' HD2' ' HG3' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -72.65 -53.64 11.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.758 179.158 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' B' ' 36' ' ' VAL . 16.8 mmm180 -46.37 -39.1 9.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.756 0.312 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -83.97 -46.21 12.31 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 4.6 mp0 -85.88 -42.95 13.66 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.842 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.21 -48.32 79.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.056 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -56.95 -34.67 68.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -63.94 -41.66 97.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.046 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.63 95.53 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.319 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.8 81.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.405 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.06 77.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.981 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.503 ' HG2' HG13 ' B' ' 50' ' ' VAL . 36.6 tt0 -56.04 -47.37 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.492 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.503 HG13 ' HG2' ' B' ' 49' ' ' GLU . 27.7 m -153.0 120.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -87.25 -48.34 8.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.578 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' B' ' 53' ' ' ARG . 11.7 pt-20 -175.66 -48.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' B' ' 52' ' ' GLU . 40.2 ttm180 -77.87 -43.48 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.419 HG22 HG12 ' B' ' 50' ' ' VAL . 89.2 m -57.34 137.75 55.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' HG2' ' B' ' 56' ' ' LYS . 15.5 ptm180 -172.08 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.617 ' HD2' ' HD3' ' A' ' 56' ' ' LYS . 14.6 ptmm? -172.66 137.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.8 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.853 -179.728 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.931 ' HA ' HD23 ' A' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.6 tp10 -83.33 -34.51 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.354 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.737 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -79.87 -23.91 41.6 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.897 0.856 . . . . 0.0 110.449 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 1' ' ' SER . 1.3 mm? -85.1 -39.11 18.31 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.657 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.647 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 13.8 tmtt? -85.15 -27.5 26.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.761 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.72 -52.58 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.434 0.635 . . . . 0.0 109.41 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.917 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -95.19 -8.28 36.69 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.944 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.12 34.19 16.49 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.776 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.656 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.9 m120 60.64 126.52 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.855 HG13 ' HG3' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -51.84 -32.38 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.615 -179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 16.3 ptm180 -59.58 -50.54 73.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.195 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 91.6 m -74.27 -37.37 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.392 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HA ' HE21 ' A' ' 16' ' ' GLN . 5.9 tt -60.64 -57.44 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.774 ' HG2' HD21 ' B' ' 22' ' ' LEU . 79.7 mtp180 -47.04 -31.62 3.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -76.32 -47.65 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.823 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.734 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.0 pt20 -70.97 -31.78 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.487 0.661 . . . . 0.0 110.178 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.98 -20.8 26.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.194 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.1 ptt85 -43.52 -34.34 1.34 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 87.5 tt0 -88.45 36.34 0.79 Allowed 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.763 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ALA . 35.5 t -170.15 -177.47 2.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 22' ' ' LEU . 24.2 m -86.6 169.69 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.731 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.884 ' HG ' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -58.98 -14.6 9.77 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 120.691 0.281 . . . . 0.0 110.27 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.14 0.04 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.51 HG21 HD21 ' A' ' 13' ' ' LEU . 5.2 t -52.8 -42.81 65.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.281 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.006 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -65.66 -47.5 75.3 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.416 178.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 1.006 ' H ' HD12 ' A' ' 25' ' ' LEU . 23.3 tt0 -54.25 -25.66 24.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.985 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 tt0 -80.3 -53.53 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.791 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.56 ' HE2' ' HG2' ' A' ' 27' ' ' GLU . 11.2 mmt -89.77 -46.94 8.24 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.022 0.439 . . . . 0.0 112.087 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' B' ' 7' ' ' LEU . 56.5 tp -54.24 -43.48 70.92 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.961 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.5 tt0 -60.87 -30.22 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.041 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.686 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.0 mmtp -86.64 -29.02 22.85 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.779 0.8 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.977 HD11 ' HA ' ' B' ' 33' ' ' GLU . 16.2 tp -68.88 -26.14 64.97 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.785 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.933 ' HA ' HD11 ' B' ' 32' ' ' LEU . 1.7 pp20? -84.74 -36.73 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.633 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 31' ' ' LYS . 19.9 m -68.45 -37.74 78.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.209 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG21 HG11 ' B' ' 36' ' ' VAL . 15.0 m -55.24 -52.96 39.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 7.4 p -77.7 -18.83 13.98 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.638 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.457 ' CB ' ' HA ' ' A' ' 34' ' ' VAL . 42.6 t30 -58.17 -43.65 87.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.384 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -74.73 -47.3 32.09 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 121.33 0.586 . . . . 0.0 110.958 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.91 ' HG2' HG22 ' A' ' 36' ' ' VAL . 2.5 mmm180 -45.05 -41.29 7.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.885 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -86.63 -44.04 12.18 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 56.3 mt-10 -86.11 -44.14 12.49 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 11.1 tm-20 -57.84 -48.37 79.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.162 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.29 -33.0 65.11 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -66.98 -43.97 81.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.398 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . -65.31 -41.63 93.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.97 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.36 -41.44 69.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.301 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.02 -48.28 78.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.316 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 11.3 pt-20 -68.91 -52.46 29.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 50' ' ' VAL . 11.4 p 35.41 41.01 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.747 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.6 146.51 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -160.6 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 53' ' ' ARG . 52.6 ttt-85 -173.35 -49.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.556 HG22 ' H ' ' A' ' 55' ' ' ARG . 4.5 m -72.06 -132.02 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.577 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 52.55 44.29 30.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 179.821 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -173.34 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.9 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.959 ' HA ' HD23 ' B' ' 4' ' ' LEU . 80.0 p . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 43.5 tp10 -83.29 -34.55 25.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.32 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.734 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -79.71 -24.05 41.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.837 0.827 . . . . 0.0 110.46 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' B' ' 1' ' ' SER . 1.3 mm? -85.17 -39.09 18.25 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.63 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 13.8 tmtt? -85.13 -27.62 26.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.084 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.757 HG21 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.62 -52.56 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 CA-C-O 121.465 0.65 . . . . 0.0 109.487 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -95.36 -8.02 36.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.885 178.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' B' ' 12' ' ' THR . 5.6 m120 62.01 34.23 16.76 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.802 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.631 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.9 m120 60.45 126.62 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.846 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -51.86 -32.37 14.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.56 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 16.2 ptm180 -59.57 -50.61 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' B' ' 8' ' ' ASN . 91.0 m -74.18 -37.45 63.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.737 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.61 -57.4 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.295 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.771 ' HG2' HD21 ' A' ' 22' ' ' LEU . 79.5 mtp180 -47.05 -31.65 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' B' ' 18' ' ' ARG . . . -76.36 -47.47 23.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.907 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.737 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.0 pt20 -71.17 -31.62 67.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.421 0.629 . . . . 0.0 110.104 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -87.02 -20.94 26.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.163 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 15' ' ' ALA . 30.0 ptt85 -43.32 -34.49 1.24 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.262 0.553 . . . . 0.0 109.536 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 19' ' ' GLU . 87.4 tt0 -88.37 36.32 0.78 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.693 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 17' ' ' ALA . 35.4 t -170.14 -177.44 2.53 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.957 0.408 . . . . 0.0 111.393 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.577 HG22 ' N ' ' B' ' 22' ' ' LEU . 23.9 m -86.54 169.72 12.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.907 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -59.04 -14.5 9.84 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.711 0.291 . . . . 0.0 110.352 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.513 ' N ' HD23 ' B' ' 22' ' ' LEU . 5.1 tp10 -40.08 -27.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.534 HG21 HD21 ' B' ' 13' ' ' LEU . 5.2 t -52.74 -42.81 65.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.244 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.96 HD12 ' H ' ' B' ' 26' ' ' GLU . 1.0 OUTLIER -65.71 -47.5 75.15 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.343 178.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.96 ' H ' HD12 ' B' ' 25' ' ' LEU . 23.3 tt0 -54.23 -25.65 24.31 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.572 -0.851 . . . . 0.0 108.881 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.66 ' HG2' ' HE2' ' B' ' 28' ' ' MET . 39.5 tt0 -80.26 -53.69 6.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.757 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.66 ' HE2' ' HG2' ' B' ' 27' ' ' GLU . 11.4 mmt -89.64 -47.06 8.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.975 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.917 ' HG ' HD22 ' A' ' 7' ' ' LEU . 56.2 tp -54.14 -43.44 70.53 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.645 ' O ' HG13 ' B' ' 34' ' ' VAL . 38.4 tt0 -61.03 -30.12 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.685 ' HA ' HG22 ' B' ' 34' ' ' VAL . 24.9 mmtp -86.58 -29.03 22.92 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.787 0.803 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.933 HD11 ' HA ' ' A' ' 33' ' ' GLU . 16.2 tp -68.93 -26.18 64.94 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.701 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.977 ' HA ' HD11 ' A' ' 32' ' ' LEU . 1.7 pp20? -84.7 -36.71 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.656 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' B' ' 31' ' ' LYS . 20.1 m -68.52 -37.72 78.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 36' ' ' VAL . 15.1 m -55.32 -52.78 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.936 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.4 p -77.8 -18.93 13.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.082 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.534 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HA ' ' B' ' 34' ' ' VAL . 42.8 t30 -58.03 -43.69 86.9 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.594 0.711 . . . . 0.0 109.263 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -69.68 -41.62 75.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.483 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.834 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -74.7 -47.42 31.6 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.967 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.911 ' HG2' HG22 ' B' ' 36' ' ' VAL . 2.6 mmm180 -44.94 -41.44 7.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -86.6 -44.01 12.22 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 56.3 mt-10 -86.06 -44.14 12.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 11.1 tm-20 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.118 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.5 t -56.2 -33.12 65.01 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.84 -44.09 81.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.432 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . -65.32 -41.51 93.91 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.38 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.351 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.362 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' B' ' 50' ' ' VAL . 11.3 pt-20 -68.86 -52.47 29.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.494 HG22 ' O ' ' B' ' 50' ' ' VAL . 11.4 p 35.56 40.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.705 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.55 146.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -160.72 -45.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 53' ' ' ARG . 52.4 ttt-85 -173.39 -49.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.54 HG22 ' H ' ' B' ' 55' ' ' ARG . 4.5 m -71.98 -131.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.591 ' HD2' ' N ' ' B' ' 55' ' ' ARG . 0.2 OUTLIER 52.29 44.52 29.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -173.34 -43.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.482 ' N ' HD23 ' B' ' 57' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 88.9 tt0 -70.44 -20.69 62.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.51 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.823 ' HB2' ' HB ' ' B' ' 36' ' ' VAL . . . -74.18 -21.68 59.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.837 0.827 . . . . 0.0 110.136 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 mp -84.35 -45.65 12.56 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HD2' ' OD1' ' A' ' 8' ' ' ASN . 26.1 tptp -80.71 -23.16 39.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.748 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.953 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.0 -48.59 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 CA-C-O 121.663 0.744 . . . . 0.0 109.9 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 HD21 ' B' ' 29' ' ' LEU . 0.2 OUTLIER -103.37 -10.98 18.19 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.392 -1.277 . . . . 0.0 109.361 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.527 ' OD1' ' HD2' ' A' ' 5' ' ' LYS . 63.4 m-80 67.18 25.35 9.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.55 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.615 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 3.2 m120 64.91 132.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.206 0.527 . . . . 0.0 111.834 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.774 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -57.32 -19.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.838 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' THR . 16.2 ptp180 -59.2 -56.84 16.96 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.633 0.254 . . . . 0.0 111.583 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 8.8 t -85.36 -29.8 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.233 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.7 tm? -60.7 -46.91 88.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.949 ' HD2' HD21 ' B' ' 22' ' ' LEU . 11.0 tpt180 -51.45 -35.99 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.442 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.44 -47.04 9.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 15.6 pt20 -62.67 -34.24 76.7 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.45 0.643 . . . . 0.0 109.961 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -86.05 -23.41 26.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.167 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.9 tpt180 -47.99 -32.2 6.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.915 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -83.51 26.63 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.383 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p -162.43 -154.17 0.3 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.778 0.323 . . . . 0.0 111.264 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.2 p -102.09 174.38 5.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.04 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -68.61 -15.47 63.54 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.114 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 43.2 tt0 -41.12 -26.74 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.404 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 28' ' ' MET . 4.9 t -53.26 -42.22 66.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.085 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.04 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -66.45 -44.68 82.15 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.363 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.948 ' H ' HD12 ' A' ' 25' ' ' LEU . 36.3 tt0 -53.82 -26.31 23.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 65.8 mm-40 -82.71 -54.19 5.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 24' ' ' THR . 19.8 ptp -89.64 -45.87 9.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.827 HD12 HD23 ' B' ' 32' ' ' LEU . 40.4 tp -53.3 -41.87 66.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.883 0.373 . . . . 0.0 110.161 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.67 ' O ' HG13 ' A' ' 34' ' ' VAL . 85.8 tt0 -62.91 -33.66 75.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.639 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 34' ' ' VAL . 24.8 mmtp -86.46 -28.97 23.16 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.804 0.811 . . . . 0.0 109.542 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.065 HD11 ' HA ' ' B' ' 33' ' ' GLU . 26.9 tp -68.37 -24.12 64.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.346 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.986 ' HA ' HD11 ' B' ' 32' ' ' LEU . 13.0 pt-20 -86.13 -42.5 13.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 31' ' ' LYS . 20.5 m -60.18 -36.37 67.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.59 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 14.0 m -56.42 -48.87 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -76.6 -19.66 14.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.375 177.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' OD1' HD11 ' B' ' 4' ' ' LEU . 34.6 t30 -58.18 -37.49 74.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.62 -43.66 15.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.129 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.05 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -67.86 -48.52 65.91 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.744 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.615 HH11 ' HE ' ' B' ' 39' ' ' ARG . 22.4 mmm180 -53.52 -44.0 68.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.86 -35.14 51.35 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 41.1 tp10 -80.19 -36.29 35.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.353 . . . . 0.0 111.394 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.026 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 16.2 mm-40 -59.56 -49.44 77.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -58.15 -32.73 68.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -70.13 -39.74 75.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.537 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.673 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -62.8 -38.36 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.947 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.52 -37.79 27.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.262 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -63.95 -42.29 97.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.777 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.6 p -53.76 101.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.547 0.689 . . . . 0.0 110.798 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.5 -137.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.261 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 37.8 tt0 66.0 127.16 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.087 0 CA-C-O 120.63 0.252 . . . . 0.0 111.033 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 52' ' ' GLU . 6.0 tpm_? 72.83 -52.17 0.71 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.737 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.1 t -68.02 -52.02 40.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.648 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 54' ' ' THR . 72.5 mtp180 -155.74 -146.62 0.18 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.912 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -178.35 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.808 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.769 0.319 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.53 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 88.8 tt0 -70.64 -19.32 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.691 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . . . -73.87 -28.28 61.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.155 0.978 . . . . 0.0 110.211 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 1.5 mp -76.76 -45.82 27.54 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.271 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.67 ' O ' ' HD3' ' B' ' 5' ' ' LYS . 1.1 tmtp? -77.6 -36.64 51.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.944 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.878 HG21 HD13 ' B' ' 32' ' ' LEU . 2.0 tt -53.71 -41.75 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-O 122.307 1.051 . . . . 0.0 108.956 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 33' ' ' GLU . 3.1 tt -88.47 -28.11 21.05 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.635 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.597 HD22 HE22 ' B' ' 16' ' ' GLN . 52.2 t30 62.31 12.73 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.594 ' CA ' HD22 ' B' ' 7' ' ' LEU . 2.7 m120 70.27 127.67 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.038 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.047 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.84 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.07 -35.37 22.65 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.704 -179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' B' ' 12' ' ' THR . 36.6 ptt180 -49.25 -43.8 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.07 0.462 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.685 HG23 ' HG3' ' B' ' 11' ' ' ARG . 25.9 p -88.14 -38.32 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.071 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.697 ' HA ' HE21 ' B' ' 16' ' ' GLN . 6.5 tt -63.72 -58.69 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.405 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -46.32 -28.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 111.152 -178.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.552 ' N ' ' HD3' ' B' ' 14' ' ' ARG . . . -85.51 -52.26 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.697 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.9 pt20 -61.98 -33.51 74.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.7 -22.95 27.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.158 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.64 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -48.48 -33.36 9.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.4 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -61.51 -36.48 80.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 90.1 p -103.14 -144.28 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.319 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.628 HG22 ' H ' ' B' ' 22' ' ' LEU . 15.8 m -110.52 173.69 6.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.379 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.991 HD12 HD21 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -58.71 -14.3 8.18 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.552 0.215 . . . . 0.0 110.502 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.448 ' N ' HD23 ' B' ' 22' ' ' LEU . 17.6 tp10 -39.83 -27.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.372 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.461 ' N ' ' O ' ' B' ' 22' ' ' LEU . 64.1 m -53.57 -43.67 68.68 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.235 178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.991 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -66.98 -45.09 78.72 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.693 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.923 ' H ' HD12 ' B' ' 25' ' ' LEU . 81.6 tt0 -56.26 -24.86 45.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.5 tp10 -84.03 -53.54 5.48 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 22.3 mmt -88.88 -48.64 7.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.176 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.903 HD12 HD23 ' A' ' 32' ' ' LEU . 45.8 tp -59.06 -28.51 66.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.05 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.467 ' HB2' HG21 ' A' ' 10' ' ' ILE . 78.1 tt0 -72.61 -31.6 65.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.68 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.765 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.1 mmtp -87.07 -32.24 20.07 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.76 0.791 . . . . 0.0 109.587 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.018 ' HG ' ' HG ' ' A' ' 32' ' ' LEU . 15.5 tp -66.61 -24.21 66.28 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.989 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.065 ' HA ' HD11 ' A' ' 32' ' ' LEU . 11.2 pt-20 -86.73 -45.48 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.169 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' B' ' 31' ' ' LYS . 34.7 m -63.7 -33.18 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.331 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 36' ' ' VAL . 8.0 p -58.47 -46.19 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.955 HG13 HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.4 -20.66 12.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.66 177.444 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 29.6 t30 -55.88 -37.76 69.26 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.98 -43.07 20.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.892 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.026 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.53 -54.57 15.92 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.697 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' B' ' 36' ' ' VAL . 22.5 mmm180 -47.62 -39.83 17.93 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.706 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.5 -38.96 23.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 43.6 tt0 -78.01 -40.41 39.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 111.451 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.05 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 22.1 mm-40 -57.76 -47.56 82.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.78 -34.31 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.64 -44.73 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.702 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.66 95.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.99 81.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.798 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.4 -43.85 31.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 41.5 tp10 -72.43 -0.35 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.472 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.462 HG13 ' N ' ' B' ' 51' ' ' GLU . 9.6 p -46.34 -45.89 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.705 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' N ' HG13 ' B' ' 50' ' ' VAL . 44.6 tt0 63.05 140.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.018 0.437 . . . . 0.0 111.271 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.64 ' HG3' ' HG2' ' B' ' 53' ' ' ARG . 16.5 pt-20 -173.29 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.64 ' HG2' ' HG3' ' B' ' 52' ' ' GLU . 16.2 ptm180 -165.57 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.741 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.43 HG22 ' HG2' ' B' ' 55' ' ' ARG . 90.1 m -54.35 -38.32 65.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 51' ' ' GLU . 44.7 mmm-85 -144.76 146.47 32.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -154.08 -46.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.947 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.689 0.281 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.611 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 36.9 tt0 -75.25 -25.27 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 6' ' ' ILE . . . -82.8 -21.25 34.58 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.916 0.865 . . . . 0.0 109.491 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' HB3' HD21 ' A' ' 9' ' ' ASN . 10.1 mt -82.23 -46.57 13.54 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.501 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.654 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 1.2 tmtp? -79.59 -24.05 42.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.276 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.1 HG21 HD13 ' A' ' 32' ' ' LEU . 3.3 tt -53.03 -45.6 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.607 0.718 . . . . 0.0 109.169 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.677 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -104.85 -7.19 19.57 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.138 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.479 ' O ' ' HB ' ' A' ' 12' ' ' THR . 5.6 m120 62.57 30.46 17.06 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.944 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.648 HD21 ' HB3' ' A' ' 4' ' ' LEU . 2.8 m120 61.71 129.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.931 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.874 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -53.35 -23.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.624 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 13.9 ptp180 -65.5 -51.66 58.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 110.839 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ASN . 94.8 m -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.206 0.526 . . . . 0.0 110.501 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 24' ' ' THR . 6.1 tt -63.89 -51.34 65.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.604 ' HD2' HD21 ' B' ' 22' ' ' LEU . 32.8 tpt85 -46.29 -32.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.27 -49.69 10.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.274 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.758 HE21 ' HA ' ' A' ' 13' ' ' LEU . 26.1 pt20 -65.29 -33.72 76.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.532 0.682 . . . . 0.0 109.735 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -86.3 -19.54 29.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.523 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 56.5 ttt-85 -44.73 -30.06 0.88 Allowed 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.325 0.583 . . . . 0.0 109.748 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -115.32 45.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.1 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 17' ' ' ALA . 47.4 t -168.44 163.81 12.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' H ' ' A' ' 23' ' ' GLU . 57.1 m -68.39 155.62 39.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.183 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.102 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.22 -12.92 9.99 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.607 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.522 ' H ' HG22 ' A' ' 21' ' ' THR . 1.0 OUTLIER -39.71 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.758 -179.376 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 13' ' ' LEU . 4.9 t -52.76 -40.75 63.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.777 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.102 HD21 HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -68.83 -43.12 76.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.09 0.472 . . . . 0.0 109.902 178.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.927 ' N ' HD12 ' A' ' 25' ' ' LEU . 29.0 tt0 -57.51 -23.69 51.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 81.4 tt0 -84.2 -55.31 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.918 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.3 mmt -89.71 -46.27 8.73 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.872 HD12 HD23 ' B' ' 32' ' ' LEU . 34.5 tp -61.45 -26.6 67.99 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 34' ' ' VAL . 38.6 tt0 -74.25 -35.1 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 111.268 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.719 ' HA ' HG22 ' A' ' 34' ' ' VAL . 53.9 mmtt -86.08 -28.46 24.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.694 0.759 . . . . 0.0 109.592 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.1 HD13 HG21 ' A' ' 6' ' ' ILE . 16.3 tp -66.4 -26.13 67.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.021 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.041 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.3 pt-20 -85.13 -40.79 16.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.006 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 31' ' ' LYS . 22.9 m -68.01 -33.53 61.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.959 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.71 HG22 HG11 ' B' ' 36' ' ' VAL . 14.9 p -57.74 -48.15 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' B' ' 36' ' ' VAL . 0.1 OUTLIER -78.04 -32.34 17.29 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.958 177.389 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.597 ' OD1' HD21 ' B' ' 4' ' ' LEU . 45.4 t30 -42.27 -42.83 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.583 0.706 . . . . 0.0 109.39 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.67 -40.25 73.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.929 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.915 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.3 OUTLIER -75.39 -52.9 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.735 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.673 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 23.1 mmm180 -44.65 -37.65 3.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -86.88 -48.32 8.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.467 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 57.5 mm-40 -87.45 -44.8 11.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 0.1 OUTLIER -57.13 -48.41 78.74 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -55.94 -35.73 66.98 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -62.48 -41.43 98.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.787 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.76 95.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.493 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.86 88.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.73 83.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 41.0 tp10 -56.58 -35.31 68.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.043 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.1 m 42.21 50.64 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.442 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HG2' ' HG3' ' A' ' 49' ' ' GLU . 52.0 mm-40 -56.29 127.46 30.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.656 0.265 . . . . 0.0 110.62 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -153.36 -45.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -172.86 46.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 5.9 t -60.03 140.77 56.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.418 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -59.92 139.47 57.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -172.4 39.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.087 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.1 pt? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.474 ' HA ' HD23 ' B' ' 4' ' ' LEU . 47.0 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.506 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -73.18 -21.39 60.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.351 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.665 ' O ' HG22 ' B' ' 6' ' ' ILE . . . -80.55 -25.15 38.79 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.929 0.871 . . . . 0.0 109.538 179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.604 ' HB3' HD21 ' B' ' 9' ' ' ASN . 1.7 mm? -86.1 -37.3 18.96 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.16 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -85.37 -22.43 28.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.707 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.974 HG21 HD13 ' B' ' 32' ' ' LEU . 8.1 tt -54.38 -51.22 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-O 122.215 1.007 . . . . 0.0 109.499 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.732 ' HB2' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -100.02 -8.72 23.51 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 113.523 -1.672 . . . . 0.0 108.912 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' THR . 5.2 m120 63.19 27.63 15.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.613 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 3.0 m120 62.43 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.221 0.534 . . . . 0.0 111.345 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.869 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -57.29 -19.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.844 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 15.3 ptm180 -62.21 -58.1 9.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' ASN . 15.0 t -77.6 -30.19 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.325 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.786 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.8 tt -62.09 -52.25 64.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.198 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 22' ' ' LEU . 11.9 tpt180 -45.54 -32.51 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.96 -47.02 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 112.14 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.786 HE21 ' HA ' ' B' ' 13' ' ' LEU . 22.3 pt20 -64.73 -35.51 81.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.711 0.767 . . . . 0.0 109.475 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.52 -19.2 29.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.598 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.0 ttt180 -44.03 -30.95 0.8 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.237 0.542 . . . . 0.0 109.688 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -112.63 45.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.068 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 17' ' ' ALA . 47.4 t -168.53 162.68 12.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.064 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 23' ' ' GLU . 58.0 m -67.41 155.44 38.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.049 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -60.77 -12.15 9.78 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.517 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 44.0 tt0 -39.27 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.759 HG21 HD21 ' B' ' 13' ' ' LEU . 4.7 t -53.71 -36.59 62.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.942 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.049 HD21 HD12 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -72.88 -45.09 60.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.241 178.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.928 ' H ' HD12 ' B' ' 25' ' ' LEU . 12.2 pt-20 -60.4 -19.68 56.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.3 tp10 -83.79 -58.21 2.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.611 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 58.5 mtt -90.13 -45.62 9.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.641 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.876 HD12 HD23 ' A' ' 32' ' ' LEU . 31.8 tp -61.44 -27.03 68.27 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.147 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.681 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 38.9 tt0 -75.26 -32.68 61.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.656 ' HA ' HG22 ' B' ' 34' ' ' VAL . 27.7 mmtp -87.37 -27.94 22.5 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.96 0.886 . . . . 0.0 109.576 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.041 HD11 ' HA ' ' A' ' 33' ' ' GLU . 25.5 tp -67.87 -24.76 65.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.698 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.98 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.11 -36.52 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 178.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.667 HG13 ' O ' ' B' ' 30' ' ' GLU . 12.8 m -68.89 -35.48 69.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.91 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.729 ' O ' ' HD3' ' B' ' 39' ' ' ARG . 4.7 m -54.93 -53.33 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.0 HG13 HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -74.38 -27.22 21.16 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 120.344 -0.543 . . . . 0.0 111.015 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 34' ' ' VAL . 33.9 t30 -49.19 -41.38 36.67 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.167 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -77.98 -41.93 34.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.842 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.538 ' NE ' ' HB3' ' A' ' 2' ' ' GLU . 22.6 mmm180 -54.23 -38.1 65.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -87.53 -47.05 9.04 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.543 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -88.25 -44.85 10.54 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.915 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 2.6 tm-20 -59.48 -47.7 84.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.074 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -54.76 -34.19 62.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -66.05 -42.16 89.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.889 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.75 95.62 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.744 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.69 65.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.27 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.29 90.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.516 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.75 -37.02 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 50' ' ' VAL . 12.3 p 41.34 46.2 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.325 0.583 . . . . 0.0 111.334 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -60.24 139.46 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -160.26 -37.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 64.9 mtm-85 -146.97 -42.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 60.1 p 50.01 -138.3 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.964 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -174.69 136.13 0.42 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.664 ' HZ3' ' HB3' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -161.38 138.08 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.497 ' C ' HD12 ' B' ' 57' ' ' LEU . 2.5 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.316 -0.85 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.709 ' HA ' HD22 ' A' ' 4' ' ' LEU . 47.4 t . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.773 0.32 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 38.2 tt0 -72.92 -29.57 63.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -75.21 -23.07 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.027 0.918 . . . . 0.0 110.23 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -81.94 -44.44 16.75 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.916 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.66 -23.38 34.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.83 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.89 -49.42 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.661 HD13 ' CD2' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -100.34 -11.16 20.52 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.22 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 65.67 28.86 11.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.542 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.6 m120 61.81 129.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.841 HG21 ' HA ' ' B' ' 26' ' ' GLU . 0.2 OUTLIER -61.5 -27.58 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.87 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.3 ptp180 -49.67 -50.75 42.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.281 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 99.1 m -83.43 -33.78 25.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 111.17 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.845 ' HA ' HE21 ' A' ' 16' ' ' GLN . 2.2 tp -63.06 -61.56 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.656 ' HA ' HD11 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -46.19 -25.6 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 -177.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.5 7.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.01 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.845 HE21 ' HA ' ' A' ' 13' ' ' LEU . 25.6 pt20 -63.0 -36.55 83.92 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 109.768 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.587 ' HB3' HD13 ' B' ' 22' ' ' LEU . . . -86.26 -19.56 29.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.549 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 11.6 tpt180 -43.5 -30.49 0.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.2 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.83 36.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.508 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' ALA . 68.7 m -164.35 -165.41 0.96 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.981 0.42 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 23' ' ' GLU . 64.1 m -87.67 155.29 20.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.222 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.065 HD12 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.9 -13.78 27.97 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.481 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 24.8 pt-20 -39.67 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 111.401 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.77 HG21 HD13 ' A' ' 13' ' ' LEU . 93.8 m -51.91 -36.94 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.065 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 pp -72.45 -44.03 62.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.934 ' H ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -59.42 -21.0 59.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 5.4 tp10 -84.05 -56.32 3.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.607 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mmt -89.7 -47.79 7.7 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 HD23 ' B' ' 32' ' ' LEU . 41.5 tp -59.57 -22.52 61.87 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.124 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 34' ' ' VAL . 39.9 tt0 -79.36 -31.94 43.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.189 0.519 . . . . 0.0 110.5 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.666 ' HA ' HG22 ' A' ' 34' ' ' VAL . 54.2 mmtt -87.08 -28.86 22.29 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.733 0.777 . . . . 0.0 109.763 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.05 HD23 HD12 ' B' ' 29' ' ' LEU . 23.6 tp -68.93 -24.8 64.32 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.521 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.823 ' HA ' HD11 ' B' ' 32' ' ' LEU . 14.7 pt-20 -84.48 -34.6 23.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 31' ' ' LYS . 16.9 m -71.8 -36.98 60.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.174 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.696 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m -56.06 -49.38 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 40' ' ' ARG . 7.6 p -81.72 -18.23 11.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.009 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 34.1 t30 -59.12 -41.77 88.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.71 -42.66 60.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.378 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.148 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.77 -32.26 71.88 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.572 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.892 ' HG2' HG22 ' A' ' 36' ' ' VAL . 4.2 mmm180 -64.51 -44.9 89.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.195 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -85.54 -27.68 25.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.051 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -82.31 -39.65 22.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.603 0.24 . . . . 0.0 111.632 -178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.051 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 7.4 mm-40 -60.05 -48.59 81.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 93.1 p -56.33 -33.28 65.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -71.69 -39.93 69.89 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.441 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.55 94.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.25 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.27 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.562 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.8 88.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.074 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 51' ' ' GLU . 10.4 p -55.59 -46.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 50' ' ' VAL . 56.5 mm-40 -154.67 132.06 11.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.72 0.295 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.98 -43.9 18.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.397 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 6.2 tpm_? -175.32 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.531 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.8 t -87.45 132.85 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' H ' ' HD2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -70.16 136.95 50.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -63.63 -46.62 84.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.881 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.496 ' HA ' HD22 ' B' ' 4' ' ' LEU . 54.1 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 38.9 tt0 -75.09 -32.51 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.711 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.8 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.81 -24.87 58.71 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.029 0.919 . . . . 0.0 110.431 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' B' ' 4' ' ' LEU . 0.4 OUTLIER -83.18 -43.95 15.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.438 -179.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.29 -24.18 32.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 32' ' ' LEU . 2.9 tt -54.72 -45.82 73.53 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.683 0.754 . . . . 0.0 109.81 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -105.28 -11.45 16.5 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.372 -1.286 . . . . 0.0 109.525 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m120 65.46 32.72 9.32 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.073 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.541 ' HB3' ' HG2' ' B' ' 11' ' ' ARG . 2.6 m120 61.81 126.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.769 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.03 -29.69 22.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.856 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' B' ' 9' ' ' ASN . 36.2 ptt180 -54.79 -51.07 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.939 0.4 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 98.2 m -75.38 -34.51 61.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.812 HD21 HD22 ' A' ' 25' ' ' LEU . 6.9 tp -61.75 -59.74 4.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.471 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' B' ' 18' ' ' ARG . 37.3 ttt85 -45.42 -26.57 0.57 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.541 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.39 -51.29 6.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.048 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 13.3 pt20 -63.68 -35.45 80.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.622 0.725 . . . . 0.0 110.239 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' B' ' 20' ' ' SER . . . -86.69 -19.8 28.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.635 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.61 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 11.8 tpt180 -42.84 -30.3 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.255 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -98.82 37.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.528 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 17' ' ' ALA . 62.0 m -163.41 -165.22 1.03 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.482 HG22 ' N ' ' B' ' 22' ' ' LEU . 47.7 m -95.87 160.22 14.58 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 1.021 HD12 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -59.0 -13.92 7.93 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.692 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.609 ' HA ' ' HG2' ' B' ' 26' ' ' GLU . 88.2 tt0 -40.28 -26.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 13' ' ' LEU . 5.1 t -54.29 -38.22 65.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.034 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.021 HD21 HD12 ' B' ' 22' ' ' LEU . 1.1 pp -72.33 -45.07 61.56 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.945 ' H ' HD12 ' B' ' 25' ' ' LEU . 15.6 pt-20 -58.65 -20.8 51.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 5.1 tp10 -83.18 -58.82 2.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.666 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 65.9 mtt -89.92 -44.7 9.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 32' ' ' LEU . 35.8 tp -59.3 -35.51 73.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 18.0 tp10 -66.97 -31.19 71.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.676 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.5 mmtp -83.15 -28.06 29.66 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.803 0.811 . . . . 0.0 109.352 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.951 HD13 HG21 ' B' ' 6' ' ' ILE . 17.9 tp -68.25 -25.35 65.13 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.618 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.002 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -86.26 -37.18 18.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.728 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.676 HG22 ' HA ' ' B' ' 31' ' ' LYS . 17.4 m -68.01 -35.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 32' ' ' LEU . 13.1 p -56.56 -42.57 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.681 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -85.19 -20.63 8.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.915 177.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' B' ' 34' ' ' VAL . 33.4 t30 -53.72 -36.1 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -84.27 -45.52 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.268 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.051 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.5 -53.49 22.92 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 36' ' ' VAL . 18.7 mmm180 -48.55 -40.38 26.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.664 0.269 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -84.27 -39.46 19.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -78.58 -38.62 39.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.753 -178.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.148 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 3.1 mm-40 -58.17 -46.96 84.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -57.55 -35.16 69.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -67.68 -40.55 84.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.451 -1.25 . . . . 0.0 110.272 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.585 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -60.83 -40.87 94.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.403 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.55 96.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.605 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.03 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.009 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.22 -43.11 99.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.294 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.585 HG22 ' O ' ' B' ' 46' ' ' ALA . 17.2 m -71.41 70.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.945 0.403 . . . . 0.0 111.501 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 68.15 131.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.182 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.38 -42.27 75.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -174.69 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 81.5 p -70.88 131.3 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.518 ' H ' ' HD2' ' B' ' 55' ' ' ARG . 0.0 OUTLIER -64.19 133.69 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.714 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -68.97 -43.74 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.905 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.542 ' H1 ' HD22 ' A' ' 4' ' ' LEU . 50.0 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' HB3' ' NE ' ' B' ' 40' ' ' ARG . 43.5 tp10 -78.26 -34.97 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.647 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.657 ' HB2' HG13 ' B' ' 36' ' ' VAL . . . -76.56 -22.29 54.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 122.075 0.94 . . . . 0.0 110.326 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.739 HD11 ' ND2' ' B' ' 37' ' ' ASN . 0.3 OUTLIER -85.53 -45.39 11.83 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.317 -178.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -82.31 -22.61 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.824 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.783 HG21 HD13 ' A' ' 32' ' ' LEU . 5.3 tt -54.09 -52.58 35.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-O 121.925 0.869 . . . . 0.0 109.737 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.911 HD22 ' HG ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -99.59 -10.39 22.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.887 -1.506 . . . . 0.0 108.856 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.32 32.55 14.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.058 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 2.5 m120 60.22 128.91 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.69 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.703 ' N ' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -55.5 -24.49 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 179.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' HG2' ' HB3' ' A' ' 9' ' ' ASN . 15.5 ptp180 -63.82 -53.07 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.406 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 93.7 m -74.28 -36.17 63.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.372 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.625 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 6.2 tt -63.62 -50.7 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.678 ' HD2' HD21 ' B' ' 22' ' ' LEU . 34.0 tpt85 -46.68 -33.36 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.34 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.96 -49.87 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.403 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.625 ' CG ' ' HA ' ' A' ' 13' ' ' LEU . 12.6 pt20 -63.78 -34.71 78.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.574 0.702 . . . . 0.0 110.055 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.59 27.81 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 80.3 ttt180 -44.05 -29.46 0.6 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -103.27 41.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.209 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.3 m -156.96 -144.11 0.13 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.32 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 22' ' ' LEU . 32.6 m -126.13 164.28 21.27 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.668 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.933 HD12 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.32 -15.5 16.51 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 120.51 0.195 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 16.6 pt-20 -41.87 -24.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.261 0.553 . . . . 0.0 110.126 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 13' ' ' LEU . 87.0 m -53.95 -39.02 65.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.958 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD12 ' H ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -72.11 -47.18 53.13 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 1.009 ' H ' HD12 ' A' ' 25' ' ' LEU . 11.6 pt-20 -56.22 -23.72 37.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 28.8 tt0 -83.65 -54.33 5.0 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.06 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mmt -89.48 -46.96 8.31 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.009 ' HG ' HD22 ' B' ' 7' ' ' LEU . 30.1 tp -54.98 -41.88 71.75 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' O ' HG13 ' A' ' 34' ' ' VAL . 34.8 tt0 -62.36 -31.66 72.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 34' ' ' VAL . 27.1 mmtp -87.67 -31.96 19.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.652 0.739 . . . . 0.0 110.041 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.049 HD11 ' HA ' ' B' ' 33' ' ' GLU . 23.3 tp -69.11 -24.18 64.09 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.892 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.925 ' HA ' HD11 ' B' ' 32' ' ' LEU . 12.4 pt-20 -84.52 -38.87 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.351 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 31' ' ' LYS . 29.1 m -69.21 -36.92 75.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.377 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 22.0 m -55.98 -50.8 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' B' ' 36' ' ' VAL . 11.8 p -79.29 -19.11 12.78 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.674 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HA ' ' A' ' 34' ' ' VAL . 32.9 t30 -61.21 -47.38 86.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.6 -42.08 83.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.004 ' HG3' ' HG3' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -71.87 -26.87 62.52 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.258 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 36' ' ' VAL . 1.2 mmm180 -66.75 -43.55 83.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.133 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -84.94 -26.9 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.686 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.6 tp10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 111.537 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.041 ' HG3' ' HG3' ' B' ' 39' ' ' ARG . 12.6 mm-40 -62.53 -47.75 82.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 t -54.9 -33.33 61.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 42' ' ' GLU . . . -68.55 -45.94 70.8 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.376 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.54 -39.64 94.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.862 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.76 77.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.12 85.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.44 -47.89 84.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.21 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 46' ' ' ALA . 7.4 p -77.05 72.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.534 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -65.17 -151.26 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -179.14 44.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 7.7 ptm180 -173.57 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.063 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.4 m -60.82 -34.13 74.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.038 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 39.2 mmm-85 68.56 132.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.57 135.07 55.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.583 HD22 ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.819 ' H3 ' HD22 ' B' ' 4' ' ' LEU . 79.5 p . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.582 ' O ' ' HB ' ' B' ' 6' ' ' ILE . 17.7 tp10 -83.2 -35.11 25.71 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.324 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -74.28 -27.09 60.57 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.819 HD22 ' H3 ' ' B' ' 1' ' ' SER . 0.9 OUTLIER -84.11 -44.56 13.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.407 -178.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.506 ' HD2' ' OD1' ' B' ' 8' ' ' ASN . 19.4 tptm -79.54 -26.04 41.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.849 HG21 HD13 ' B' ' 32' ' ' LEU . 2.6 tt -54.84 -46.12 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.529 0.68 . . . . 0.0 109.937 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 1.009 HD22 ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -105.44 -11.55 16.38 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.628 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.506 ' OD1' ' HD2' ' B' ' 5' ' ' LYS . 66.0 m-80 67.48 30.51 6.76 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' B' ' 4' ' ' LEU . 2.6 m120 62.19 127.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -55.2 -22.59 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.704 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.566 ' HG3' HG23 ' B' ' 12' ' ' THR . 15.4 ptp180 -63.57 -54.27 38.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.566 HG23 ' HG3' ' B' ' 11' ' ' ARG . 16.1 p -74.59 -37.07 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.176 0.512 . . . . 0.0 110.275 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.693 ' HA ' HE21 ' B' ' 16' ' ' GLN . 5.9 tt -60.16 -51.85 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.644 ' HD2' HD21 ' A' ' 22' ' ' LEU . 35.9 tpt85 -46.97 -33.18 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.85 -49.54 8.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.693 HE21 ' HA ' ' B' ' 13' ' ' LEU . 26.5 pt20 -64.85 -33.83 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.064 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.52 -20.97 27.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.525 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 79.7 ttt180 -43.1 -29.79 0.39 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -105.02 43.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.3 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.2 m -157.58 -145.54 0.15 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.468 HG22 ' N ' ' B' ' 22' ' ' LEU . 41.7 m -126.31 160.27 30.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.687 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.905 HD12 HD21 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -58.28 -16.09 12.77 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.604 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.503 ' N ' HD23 ' B' ' 22' ' ' LEU . 43.9 tt0 -41.41 -27.33 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.065 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 25' ' ' LEU . 4.7 t -55.65 -42.83 75.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.338 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.922 HD12 ' N ' ' B' ' 26' ' ' GLU . 1.2 pp -67.42 -44.1 79.62 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.196 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.922 ' N ' HD12 ' B' ' 25' ' ' LEU . 79.1 tt0 -54.27 -27.07 32.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 89.3 tt0 -83.68 -50.74 7.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.06 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' B' ' 7' ' ' LEU . 65.5 mtt -88.8 -48.32 7.58 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.911 ' HG ' HD22 ' A' ' 7' ' ' LEU . 28.9 tp -53.75 -38.23 64.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.131 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 34.3 tt0 -64.18 -34.15 77.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.964 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' B' ' 34' ' ' VAL . 26.7 mmtp -86.32 -27.32 24.39 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.407 0.622 . . . . 0.0 110.15 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 33' ' ' GLU . 14.6 tp -70.33 -26.1 63.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.762 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 1.049 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.0 pt-20 -85.03 -39.06 18.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.991 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.783 HG22 ' HA ' ' B' ' 31' ' ' LYS . 32.3 m -70.85 -38.44 72.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.052 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.772 HG22 HG21 ' A' ' 36' ' ' VAL . 8.7 p -55.78 -47.23 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.074 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 7.2 p -83.76 -19.31 9.61 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.137 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.739 ' ND2' HD11 ' A' ' 4' ' ' LEU . 32.0 t-20 -52.64 -43.17 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.67 -40.45 69.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.85 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.041 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -69.07 -51.96 33.41 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.142 179.403 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.82 ' HG2' HG22 ' B' ' 36' ' ' VAL . 6.5 mmm180 -48.19 -40.14 23.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.599 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -86.2 -39.61 16.45 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.636 ' O ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 mm-40 -80.94 -42.5 21.21 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 1.004 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 17.9 mm-40 -58.63 -47.79 83.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.667 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -56.06 -33.53 65.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -68.19 -43.87 77.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.299 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.418 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -61.3 -39.45 90.49 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.615 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.71 70.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.89 92.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.781 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -68.0 -38.23 82.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.774 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 46' ' ' ALA . 31.9 m -76.49 53.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.91 -134.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.848 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.646 ' HG3' ' HG3' ' B' ' 53' ' ' ARG . 16.7 pt-20 -173.61 -152.65 0.06 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.646 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 99.1 mtt180 58.24 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.822 0.344 . . . . 0.0 111.243 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.474 ' N ' ' O ' ' B' ' 52' ' ' GLU . 7.6 t -71.81 136.29 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -63.15 136.99 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -78.11 45.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 stop_ save_