data_2ksg_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 2ksg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.325 -0.31 . . . . 73.25 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.21 61.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.798 0.332 . . . . 75.55 111.157 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.91 -48.24 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.791 -0.641 . . . . 71.32 110.412 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -66.14 -36.42 83.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.963 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' HG22 ' A' ' 43' ' ' VAL . 17.0 t70 -60.15 -56.89 16.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.285 . . . . 62.23 110.564 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 8.2 p -67.46 -38.05 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.415 -0.357 . . . . 70.23 110.837 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -62.21 -45.92 91.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.453 -0.339 . . . . 74.51 111.062 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.82 -37.09 76.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.999 -0.546 . . . . 74.53 111.164 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 39' ' ' ASP . 98.4 t -66.73 -36.55 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.002 0.43 . . . . 64.42 110.702 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 97.1 mt -73.24 -16.39 61.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 74.21 111.229 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.3 -52.72 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.117 0.484 . . . . 72.14 110.002 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.706 -0.679 . . . . 75.05 109.63 178.688 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 N-CA-C 112.401 -0.28 . . . . 72.41 112.401 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.02 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.691 0.246 . . . . 71.12 111.21 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.75 -21.68 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.133 -0.485 . . . . 63.13 111.418 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.07 -53.23 4.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.366 . . . . 74.44 110.465 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 43' ' ' VAL . 16.1 t70 -54.43 -39.93 67.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 73.5 111.668 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.32 -27.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.34 0.496 . . . . 72.34 112.34 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -98.79 -37.58 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.731 -0.388 . . . . 74.45 110.778 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 85.8 m-20 -60.28 -26.3 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 74.01 112.54 -172.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 39' ' ' ASP . 87.3 t -58.98 -48.01 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 63.22 110.631 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.78 -29.62 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 74.42 111.028 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 37.0 t70 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.767 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 115.695 -0.684 . . . . 61.31 111.912 173.626 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 111.606 -0.597 . . . . 54.41 111.606 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.12 67.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.534 -0.333 . . . . 73.45 111.218 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.96 -27.37 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 72.41 110.474 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -86.15 -56.07 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.809 -0.632 . . . . 62.22 110.648 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.29 -44.87 28.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 70.2 112.448 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.62 -31.48 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 74.24 110.811 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.25 -35.39 80.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.426 -0.352 . . . . 74.12 110.829 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 46' ' ' SER . 22.4 t70 -62.16 -33.03 73.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.325 0.584 . . . . 71.11 110.012 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.37 -40.14 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.364 -0.835 . . . . 74.53 110.35 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.29 -48.78 75.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.64 . . . . 74.33 111.062 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -84.9 8.23 18.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 64.14 111.295 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 8.8 t . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 109.771 -0.455 . . . . 71.34 109.771 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.698 0 N-CA-C 111.765 -0.534 . . . . 62.14 111.765 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.74 67.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 65.22 111.337 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.35 -28.89 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 74.23 110.461 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -90.47 -59.82 2.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.227 0.537 . . . . 73.0 109.955 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 43' ' ' VAL . 31.6 t70 -56.08 -52.26 64.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.986 -1.006 . . . . 74.23 112.676 -171.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.48 -40.15 77.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.556 -0.293 . . . . 73.43 111.725 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -75.55 -40.64 56.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.984 0.421 . . . . 75.21 110.352 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.16 -36.34 77.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.544 -0.753 . . . . 74.31 111.815 -174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 39' ' ' ASP . 72.9 t -55.71 -47.22 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 70.14 110.846 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.79 -39.22 66.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 74.33 110.462 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.9 -31.06 71.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.343 -0.844 . . . . 74.33 110.952 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 74.42 111.247 -178.106 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 111.945 -0.462 . . . . 55.22 111.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.23 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 70.15 111.553 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.26 -28.98 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 75.55 111.094 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -79.81 -51.0 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.618 -0.265 . . . . 74.02 111.139 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.09 -47.17 75.31 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.521 0.513 . . . . 73.52 111.89 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.19 -29.03 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 74.1 111.229 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -89.72 -6.14 56.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.648 0.261 . . . . 73.41 111.15 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.8 -38.9 80.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 61.42 110.714 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.05 -44.87 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.523 . . . . 64.54 111.38 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.1 pp -80.31 75.97 7.11 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 122.185 0.993 . . . . 73.2 111.296 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.47 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.463 -1.244 . . . . 61.2 108.453 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 108.423 -0.954 . . . . 75.31 108.423 171.235 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.235 -0.346 . . . . 73.44 112.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.73 66.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 75.35 110.864 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 -53.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.065 -0.516 . . . . 74.32 109.833 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -76.38 -70.98 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.284 -0.871 . . . . 75.21 112.204 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -39.4 80.34 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.289 0.635 . . . . 65.01 112.697 -168.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.86 -44.64 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.449 -0.342 . . . . 74.43 111.853 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.02 -31.41 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.89 -0.324 . . . . 75.31 111.545 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.65 -36.2 66.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 74.23 112.16 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.4 -36.83 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.614 0.245 . . . . 74.33 111.65 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.69 -21.99 15.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 74.35 111.363 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -80.88 -46.37 15.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.543 . . . . 72.54 109.805 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.517 -0.765 . . . . 75.31 109.395 177.401 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 112.436 -0.266 . . . . 44.31 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.8 -25.16 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.849 0.357 . . . . 64.33 110.941 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.28 -42.4 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.174 -0.466 . . . . 75.2 111.01 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -119.07 -66.55 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.689 -0.404 . . . . 72.44 111.783 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -54.42 -46.35 73.19 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.473 0.545 . . . . 74.5 112.473 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.37 -34.83 69.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.955 0.407 . . . . 74.51 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -13.74 60.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.323 -0.399 . . . . 74.23 111.074 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -81.8 -28.49 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.744 -0.465 . . . . 61.14 109.744 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.26 -23.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 64.55 110.502 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.73 -28.53 61.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.145 -0.479 . . . . 65.45 111.065 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.63 -25.81 68.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 74.35 111.064 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.404 -0.362 . . . . 73.24 111.549 -177.75 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.072 -0.411 . . . . 74.24 112.072 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . . . -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.843 0.312 . . . . 54.0 111.843 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 95.1 t -55.51 -43.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 123.145 0.278 . . . . 61.32 110.816 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -89.4 -16.29 31.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.982 -0.287 . . . . 75.31 110.938 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 17.1 t70 -73.21 -60.32 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 73.53 110.546 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.76 -23.07 30.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.368 0.604 . . . . 71.54 110.338 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 1.4 tppp? -61.98 -38.18 87.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.762 . . . . 75.31 110.513 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.66 -33.5 47.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 75.11 110.3 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.27 -41.99 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.4 -0.363 . . . . 75.35 111.04 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.82 -11.71 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.59 -0.277 . . . . 71.45 111.579 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.31 -47.3 5.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.362 -0.236 . . . . 74.43 110.362 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.463 0.209 0 C-N-CA 123.672 0.789 . . . . 55.55 112.602 174.217 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 111.883 -0.487 . . . . 41.45 111.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.148 0.425 . . . . 74.1 112.148 -175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.55 -45.47 98.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.715 0.293 . . . . 74.11 110.872 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.11 -38.11 81.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.075 -0.342 . . . . 73.13 110.075 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' HG21 ' A' ' 43' ' ' VAL . 11.5 t70 -59.21 -59.78 4.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 61.12 110.964 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.95 -43.67 85.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 73.22 111.06 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 tmtm? -60.1 -46.12 90.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 63.21 110.659 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.04 -42.02 98.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 75.3 110.695 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 39' ' ' ASP . 98.8 t -65.77 -42.88 93.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.715 -0.675 . . . . 73.34 111.342 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 4.6 pp -72.1 -23.09 61.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.675 -0.41 . . . . 62.52 111.881 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -91.25 -13.36 32.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.262 -0.575 . . . . 74.22 110.061 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.652 -0.704 . . . . 75.11 110.043 178.065 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 N-CA-C 112.603 -0.199 . . . . 71.35 112.603 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -24.19 50.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.687 0.254 . . . . 73.13 111.687 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 58.6 t -55.64 -34.55 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.197 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.35 -44.15 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 73.45 110.68 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.34 -42.56 99.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.908 -0.587 . . . . 70.02 111.688 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.53 -27.51 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.818 0.342 . . . . 73.54 110.559 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 50.6 tptt -59.32 -34.38 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.87 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.41 -25.63 64.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.27 -50.55 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.521 . . . . 74.24 111.253 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -82.04 -7.7 59.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.965 0.412 . . . . 61.14 110.44 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.01 -58.8 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.508 . . . . 71.15 109.915 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.447 -0.604 0 CA-C-N 115.915 -0.584 . . . . 73.21 109.784 177.35 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 110.847 -0.901 . . . . 63.23 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.3 2.39 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.207 0.447 . . . . 72.12 112.207 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.44 -32.55 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.021 0.438 . . . . 64.44 111.121 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -75.37 -68.15 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 62.22 111.051 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 75.12 112.253 -170.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.0 t -57.0 -46.43 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.481 0.181 . . . . 75.44 111.355 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -75.34 -26.31 58.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.913 0.387 . . . . 73.53 110.763 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -76.6 -38.01 55.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.043 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 39' ' ' ASP . 99.4 t -66.79 -38.49 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 65.12 111.39 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 pp -97.01 23.08 7.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.721 0.296 . . . . 75.5 111.335 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.91 -48.86 62.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 74.31 111.113 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.553 0.692 . . . . 74.25 110.961 -177.24 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 112.537 -0.225 . . . . 71.4 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.529 ' O ' HG21 ' A' ' 40' ' ' VAL . . . -66.24 -55.88 14.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.694 0.283 . . . . 44.42 110.599 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.5 -35.11 57.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.329 0.585 . . . . 71.32 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.93 -45.06 83.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.44 -0.8 . . . . 72.55 110.607 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 41' ' ' LYS . 30.2 t70 -63.83 -39.47 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.23 111.506 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 36' ' ' ALA . 14.3 t -75.99 26.88 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.877 0.846 . . . . 73.41 110.611 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 58.0 tttm -150.19 -42.01 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.807 -0.812 . . . . 73.42 108.807 172.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.75 -47.24 64.17 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.342 -0.845 . . . . 72.2 111.395 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -91.63 -10.84 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.39 0.614 . . . . 74.22 110.395 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . 55.7 tp -83.07 -39.61 20.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.505 . . . . 75.45 111.406 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.0 -17.13 62.07 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.938 0.399 . . . . 72.35 110.537 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.449 -0.507 0 CA-C-N 115.807 -0.633 . . . . 74.34 110.928 -178.221 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 111.505 -0.638 . . . . 54.4 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -19.02 57.58 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.901 0.334 . . . . 63.42 111.901 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.34 -35.09 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.32 -0.4 . . . . 75.24 110.701 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -91.18 -43.81 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 75.12 109.68 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' HG21 ' A' ' 43' ' ' VAL . 10.8 t70 -65.7 -50.06 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.93 -1.032 . . . . 74.41 112.411 -169.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 88.8 t -62.33 -36.04 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 71.0 111.214 -175.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.36 -23.53 66.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.802 0.334 . . . . 73.3 110.824 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 -40.63 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.034 0.445 . . . . 75.51 109.975 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 39' ' ' ASP . 48.1 t -63.9 -41.78 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.562 -0.744 . . . . 73.23 111.232 -178.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 pp -79.63 2.43 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.034 0.445 . . . . 74.53 111.288 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -108.7 13.15 25.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.742 0.782 . . . . 74.15 109.966 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 53.43 111.312 -179.548 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 CA-C-O 119.631 -0.538 . . . . 75.04 114.292 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -60.72 2.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.008 0.404 . . . . 75.22 111.843 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 t -94.76 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.307 0.575 . . . . 64.43 110.159 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 33.4 t-80 -168.89 -53.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.685 -0.689 . . . . 74.5 110.293 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.6 t70 -74.44 -55.66 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.475 -0.329 . . . . 74.25 110.218 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 t -56.58 -29.73 30.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 72.34 110.356 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 38' ' ' HIS . 7.3 tmtm? -54.28 -48.37 71.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.526 -0.761 . . . . 74.13 110.701 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.08 -31.36 50.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 62.23 110.655 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 39' ' ' ASP . 60.6 t -63.31 -39.1 84.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.113 -0.494 . . . . 62.25 110.359 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.5 tp -68.32 -37.19 80.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.751 -0.658 . . . . 73.51 110.622 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -65.24 -57.0 9.59 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.987 0.422 . . . . 73.45 109.938 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.029 -0.987 . . . . 73.13 111.149 -179.773 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 120.106 -0.275 . . . . 61.4 113.678 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -45.18 -51.85 10.07 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.644 0.609 . . . . 65.03 112.644 -175.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.61 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.046 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -63.41 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 75.22 110.303 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.25 -43.36 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 72.41 111.569 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 36' ' ' ALA . 93.8 t -58.82 -42.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 73.43 110.498 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.686 ' HD2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -70.39 -40.62 73.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 72.33 109.695 178.295 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.24 -44.39 95.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.699 -0.682 . . . . 74.02 112.184 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.18 -46.07 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.689 0.28 . . . . 74.12 111.449 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.8 tp -70.66 -64.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 75.05 110.874 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.686 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . 29.2 t70 -83.11 82.05 8.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.703 0.763 . . . . 74.3 109.945 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.412 -1.267 . . . . 73.42 109.275 -179.793 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.301 -0.166 . . . . 73.55 112.781 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.15 -44.42 61.42 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.411 0.523 . . . . 70.01 112.411 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -25.25 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.635 -0.257 . . . . 71.32 111.68 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -71.83 -40.42 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 74.25 110.408 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.4 -42.56 35.82 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.07 -0.513 . . . . 72.13 110.391 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' ALA . 75.7 t -58.57 -40.92 80.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 55.31 110.729 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -52.32 -51.31 59.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.333 -0.394 . . . . 75.21 110.707 179.395 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.22 -49.78 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.848 -0.615 . . . . 73.53 111.761 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.13 -45.99 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.378 -0.374 . . . . 74.31 111.468 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.97 -32.36 74.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 71.3 111.053 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -78.33 -26.89 46.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 73.25 110.694 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.315 -0.402 . . . . 71.11 110.395 -178.015 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 112.346 -0.302 . . . . 45.5 112.346 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.39 -0.7 26.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.703 0.287 . . . . 74.12 111.54 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.69 -22.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 75.5 111.045 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.3 -40.69 43.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 74.53 110.908 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.0 -30.92 65.72 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.593 0.59 . . . . 75.51 112.593 -173.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.94 -43.75 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.758 -0.377 . . . . 74.42 110.572 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -70.3 -42.61 71.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 74.13 110.425 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.59 -46.82 88.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.656 -0.702 . . . . 73.32 111.434 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.18 -50.41 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 75.4 111.675 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.56 -25.63 68.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.815 0.341 . . . . 75.45 111.443 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -20.16 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.354 -0.385 . . . . 75.33 110.641 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 71.11 111.289 -178.064 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 111.836 -0.506 . . . . 73.4 111.836 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.53 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.744 0.307 . . . . 74.14 110.292 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.95 -43.85 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 72.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -71.86 -67.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 75.33 111.763 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -34.11 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -166.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.49 -40.64 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 74.21 110.009 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -95.66 33.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.634 0.73 . . . . 73.1 109.547 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.54 -58.15 1.34 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.381 -0.827 . . . . 65.13 109.886 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.33 -61.76 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.35 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 15.31 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.38 0.61 . . . . 74.41 110.969 -178.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.75 -11.14 20.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.614 -1.176 . . . . 74.51 111.444 177.131 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.336 -0.146 . . . . 71.42 113.242 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.34 79.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.239 0.542 . . . . 74.23 109.618 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.43 -27.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.71 -0.677 . . . . 74.42 110.013 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -61.93 -39.59 92.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.58 -0.736 . . . . 74.31 110.349 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.25 -42.12 60.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 74.21 110.844 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.66 -33.45 63.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.017 -0.538 . . . . 70.42 110.699 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -54.97 -42.27 72.17 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.709 -0.678 . . . . 73.34 111.033 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.82 -52.23 43.22 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.514 0.509 . . . . 64.14 112.162 -174.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.33 -45.58 82.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 64.34 111.01 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 tp -70.63 -31.78 68.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 65.43 111.718 -174.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -75.62 -37.34 59.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.44 . . . . 72.32 111.366 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 75.12 111.857 -174.802 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.942 0 N-CA-C 111.097 -0.801 . . . . 74.03 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.56 63.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.803 0.335 . . . . 62.0 111.281 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 t -64.3 -23.0 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.325 0.583 . . . . 71.0 110.676 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -98.52 -48.98 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 74.34 110.196 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.01 -35.58 66.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.012 -0.54 . . . . 71.33 112.298 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 41' ' ' LYS . 14.7 p -56.42 -33.4 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.689 0.28 . . . . 75.31 111.264 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG3' HG11 ' A' ' 40' ' ' VAL . 54.2 mtmt -100.63 -25.22 14.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.863 0.363 . . . . 72.34 110.694 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.94 -47.86 73.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 72.34 110.53 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.05 -35.02 69.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 65.44 110.392 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.75 -33.38 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.742 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.78 -28.41 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 62.22 110.765 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 60.5 111.019 179.378 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 121.162 0.506 . . . . 60.4 110.234 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -129.97 94.09 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.039 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.59 -46.27 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 72.35 111.441 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -127.83 -171.26 2.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.312 -0.255 . . . . 74.43 110.312 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.57 -43.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 73.42 111.215 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -84.93 11.91 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.35 110.847 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.29 62.37 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.288 -0.725 . . . . 64.04 111.288 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -87.48 146.96 25.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.097 -0.334 . . . . 63.54 110.097 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -83.75 -34.34 24.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.178 -0.465 . . . . 72.05 110.993 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.85 -3.27 63.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.055 -0.593 . . . . 75.12 112.424 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.11 67.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 52.54 111.316 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -2.17 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.959 0.409 . . . . 74.5 111.001 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -117.97 -45.77 2.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.437 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.1 -54.06 5.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.143 0.794 . . . . 75.12 113.143 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.91 -1.0 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.99 0.424 . . . . 73.21 111.811 -170.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -128.67 53.11 0.81 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.426 -0.893 . . . . 70.2 112.334 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.7 -46.3 84.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.306 -0.473 . . . . 73.43 113.272 -177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -69.75 -26.57 64.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.027 0.441 . . . . 74.02 110.92 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.61 0.38 65.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.821 -0.704 . . . . 74.15 112.21 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.903 ' HZ3' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -86.75 56.83 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.4 0.619 . . . . 75.11 110.181 -176.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -138.78 74.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.546 -0.752 . . . . 74.02 109.359 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.66 -30.93 3.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.86 -0.686 . . . . 71.44 111.973 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 17.6 ptmt -79.24 -21.29 46.39 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.591 -0.522 . . . . 75.03 109.591 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -71.01 106.62 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.245 -0.889 . . . . 62.34 110.064 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.84 -50.47 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.329 -0.85 . . . . 55.44 110.517 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.0 -36.36 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 74.02 109.223 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 22.5 mp0 -57.91 -42.05 83.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.735 -1.121 . . . . 72.42 110.181 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.21 -52.35 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 75.53 111.494 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 30' ' ' GLU . 2.8 pp -81.25 -26.47 35.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.381 0.512 . . . . 73.32 112.381 -174.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HG2' HD12 ' A' ' 29' ' ' LEU . 20.3 mm-40 -79.62 -28.43 40.95 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 74.55 111.074 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -63.05 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.998 -0.371 . . . . 73.25 109.998 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.682 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 48.1 t -62.53 -49.28 84.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.561 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.0 85.23 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.109 -0.567 . . . . 55.22 112.46 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -87.02 14.12 8.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.226 . . . . 71.45 111.065 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.53 81.27 1.42 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.855 -0.688 . . . . 73.25 112.325 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 32' ' ' VAL . . . -58.71 -24.21 61.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.798 0.332 . . . . 75.55 111.157 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.91 -48.24 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.791 -0.641 . . . . 71.32 110.412 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -66.14 -36.42 83.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.963 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' HG22 ' A' ' 43' ' ' VAL . 17.0 t70 -60.15 -56.89 16.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.285 . . . . 62.23 110.564 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 8.2 p -67.46 -38.05 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.415 -0.357 . . . . 70.23 110.837 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -62.21 -45.92 91.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.453 -0.339 . . . . 74.51 111.062 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.82 -37.09 76.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.999 -0.546 . . . . 74.53 111.164 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 39' ' ' ASP . 98.4 t -66.73 -36.55 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.002 0.43 . . . . 64.42 110.702 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 97.1 mt -73.24 -16.39 61.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 74.21 111.229 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.3 -52.72 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.117 0.484 . . . . 72.14 110.002 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.0 t -92.36 77.59 5.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.706 -0.679 . . . . 75.05 109.63 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.3 134.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 71.34 110.423 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.522 -0.752 . . . . 73.42 109.876 176.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.783 0.325 . . . . 75.35 110.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -169.84 -162.89 0.34 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.208 -0.664 . . . . 70.13 109.208 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 pp -102.07 11.69 38.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 75.22 110.334 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 tt -92.64 -58.04 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 73.41 110.378 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.721 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -80.95 -35.76 31.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.31 111.006 -173.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.721 ' HG3' ' HG2' ' A' ' 5' ' ' GLU . 55.1 mtpt -110.91 -10.37 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 73.35 110.842 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -79.71 -55.45 3.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.367 -0.921 . . . . 54.52 111.854 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 8' ' ' LEU . 4.0 mm? -83.51 110.35 18.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.914 0.388 . . . . 74.21 110.619 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.9 -12.72 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.27 0.557 . . . . 75.33 109.899 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.82 -24.38 57.53 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.547 -0.751 . . . . 62.55 112.283 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.05 -24.14 65.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 64.33 110.691 176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -91.01 -39.74 12.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 55.32 109.364 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -65.89 -20.96 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.53 -0.759 . . . . 75.14 110.734 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.88 67.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.843 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.79 -52.97 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.052 -0.522 . . . . 72.31 109.66 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.66 38.88 2.13 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.817 -0.629 . . . . 62.31 112.601 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.78 -47.53 0.36 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.082 -0.58 . . . . 73.31 111.748 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.7 pt? -101.5 -5.84 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.871 0.367 . . . . 75.5 110.287 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' LYS . . . -64.73 -51.67 49.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.096 -0.573 . . . . 64.1 112.23 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.19 120.89 10.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.052 0.453 . . . . 74.44 111.03 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . 93.9 mt 72.97 -29.47 0.2 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.474 -0.785 . . . . 70.21 111.849 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 20' ' ' LYS . . . -66.54 -43.63 91.84 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.324 -0.465 . . . . 43.51 112.382 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -94.32 -15.21 24.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.953 0.406 . . . . 74.44 110.493 177.604 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 30.2 m-20 -72.21 -1.02 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 71.05 111.832 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.21 70.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.931 0.396 . . . . 72.42 110.554 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LYS . 8.9 p -81.58 -17.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 74.55 110.517 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' CG ' ' HA ' ' A' ' 24' ' ' ASP . 5.0 mm-40 -68.23 -11.41 59.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.804 -0.634 . . . . 74.24 110.603 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.18 -27.59 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.633 -0.712 . . . . 74.52 110.653 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 tp -102.62 -39.47 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 72.23 110.985 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HG2' HG23 ' A' ' 26' ' ' VAL . 68.7 mm-40 -79.33 9.92 4.22 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 73.4 111.913 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -69.84 -31.47 69.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.059 0.457 . . . . 72.02 110.278 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.09 -10.03 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 75.42 111.022 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.78 77.26 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.668 -0.777 . . . . 72.22 111.536 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.97 -66.73 0.88 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 64.4 110.136 -175.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.77 -26.55 5.52 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.831 -0.7 . . . . 72.41 112.401 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.02 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.691 0.246 . . . . 71.12 111.21 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.75 -21.68 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.133 -0.485 . . . . 63.13 111.418 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.07 -53.23 4.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.366 . . . . 74.44 110.465 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 43' ' ' VAL . 16.1 t70 -54.43 -39.93 67.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 73.5 111.668 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.32 -27.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.34 0.496 . . . . 72.34 112.34 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -98.79 -37.58 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.731 -0.388 . . . . 74.45 110.778 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 85.8 m-20 -60.28 -26.3 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 74.01 112.54 -172.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 39' ' ' ASP . 87.3 t -58.98 -48.01 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 63.22 110.631 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.78 -29.62 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 74.42 111.028 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 37.0 t70 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.767 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t 67.35 24.26 9.01 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.695 -0.684 . . . . 61.31 111.912 173.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.66 122.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.49 0.662 . . . . 61.3 110.467 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' OXT' HD11 ' A' ' 48' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.408 -0.806 . . . . 72.25 109.746 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.042 -0.355 . . . . 74.45 110.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 t -95.01 118.72 32.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.013 0.435 . . . . 65.1 110.311 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD13 HD21 ' A' ' 4' ' ' LEU . 4.5 pp -86.74 -3.94 59.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.164 0.507 . . . . 75.42 109.801 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 HD13 ' A' ' 3' ' ' LEU . 3.9 mm? -76.65 -61.52 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 75.53 110.612 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.747 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 10.5 pt-20 -73.05 -39.76 65.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 74.53 111.871 -175.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.747 ' HG3' ' HG3' ' A' ' 5' ' ' GLU . 66.1 mttm -96.78 -20.5 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.731 0.3 . . . . 75.42 111.653 -173.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.8 -76.23 1.23 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.454 -0.879 . . . . 75.32 112.134 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 1.6 tm? -62.96 -59.31 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.542 0.21 . . . . 74.33 111.04 -175.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.95 -41.55 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.433 -0.348 . . . . 74.13 110.843 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -37.42 94.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.152 -0.547 . . . . 72.44 112.088 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.41 -23.31 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.716 0.293 . . . . 74.2 111.163 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 29.5 mmmt -85.19 -16.96 38.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 74.32 110.172 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 40.76 37.79 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.249 1.02 . . . . 75.32 112.49 -176.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.42 -46.46 55.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 74.23 110.325 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.83 -18.23 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 71.04 110.453 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.9 46.03 2.69 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.032 -0.604 . . . . 62.43 112.464 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.68 20.68 49.69 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 72.22 111.956 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 20' ' ' LYS . 1.4 pp -154.28 -162.65 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.621 . . . . 73.34 109.322 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.97 80.64 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.897 -0.668 . . . . 64.22 111.811 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.794 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -127.16 164.98 20.44 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.569 -0.53 . . . . 74.33 109.569 -175.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.0 28.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 75.02 111.87 -171.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -109.8 -1.03 30.49 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.508 -1.037 . . . . 63.43 110.508 171.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 16.3 mmmt -106.24 -24.59 12.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.126 -0.537 . . . . 72.23 111.536 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HA ' ' CG ' ' A' ' 27' ' ' GLU . 10.9 p-10 -72.39 9.25 1.08 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.746 0.647 . . . . 73.1 112.746 -169.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -107.42 -13.58 15.06 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 122.197 -0.314 . . . . 75.14 111.128 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.02 -10.64 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.837 0.351 . . . . 71.24 111.654 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -67.31 -8.77 34.84 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.314 0.487 . . . . 65.01 112.314 -176.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.28 -25.94 60.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 71.12 110.829 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.73 -44.74 6.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 75.11 111.263 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 15.5 pt-20 -76.3 -18.56 58.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.025 0.38 . . . . 73.13 112.025 -173.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 p -65.95 -35.24 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.669 -0.493 . . . . 74.54 109.669 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 34' ' ' LYS . 57.3 t -62.25 -31.98 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.341 -0.845 . . . . 71.21 110.155 176.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.11 21.19 5.11 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.992 -0.549 . . . . 62.12 111.953 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 32' ' ' VAL . 1.2 tppp? 65.75 19.54 11.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.645 0.778 . . . . 75.34 111.133 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.88 -9.71 79.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 54.41 111.606 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.12 67.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.534 -0.333 . . . . 73.45 111.218 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.96 -27.37 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 72.41 110.474 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -86.15 -56.07 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.809 -0.632 . . . . 62.22 110.648 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.29 -44.87 28.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 70.2 112.448 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.62 -31.48 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 74.24 110.811 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.25 -35.39 80.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.426 -0.352 . . . . 74.12 110.829 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 46' ' ' SER . 22.4 t70 -62.16 -33.03 73.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.325 0.584 . . . . 71.11 110.012 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.37 -40.14 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.364 -0.835 . . . . 74.53 110.35 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.29 -48.78 75.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.64 . . . . 74.33 111.062 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -84.9 8.23 18.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 64.14 111.295 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 8.8 t -99.18 -29.2 12.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.771 -0.455 . . . . 71.34 109.771 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -78.81 104.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.03 110.297 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--O 1.249 1.035 0 N-CA-C 108.646 -0.872 . . . . 73.34 108.646 179.54 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.98 0.419 . . . . 75.24 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -99.19 151.96 20.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.712 -0.477 . . . . 73.1 109.712 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 81.7 mt -92.61 -42.45 9.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.746 0.308 . . . . 71.3 110.948 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 22.6 tp -176.3 -178.03 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.604 -0.888 . . . . 74.43 108.604 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.612 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 9.4 pt-20 -63.31 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.329 0.585 . . . . 74.53 110.008 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 14.6 tmtt? -79.11 -29.39 43.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.149 -0.685 . . . . 75.45 109.149 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 3' ' ' LEU . . . -93.78 41.11 2.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.618 -0.719 . . . . 75.24 111.629 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -97.49 35.39 1.65 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.549 0.69 . . . . 74.53 109.418 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HB2' ' HA2' ' A' ' 16' ' ' GLY . 11.3 t70 -49.3 -56.5 9.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.538 -1.21 . . . . 62.24 111.629 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.06 -76.83 0.26 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.615 -0.803 . . . . 74.23 112.098 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.12 22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.144 0.424 . . . . 73.32 112.144 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -22.11 11.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.006 -0.678 . . . . 72.44 110.731 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptm 61.54 37.55 16.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.588 0.709 . . . . 61.41 110.375 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.91 42.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.492 -0.776 . . . . 72.2 110.391 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 15' ' ' VAL . 15.4 t 64.29 15.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.814 0.816 . . . . 75.42 110.171 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 9' ' ' ASP . . . 80.5 78.7 0.91 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.025 -0.83 . . . . 72.03 111.025 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.72 -22.24 59.32 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 114.031 0.373 . . . . 71.03 114.031 -173.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.88 -1.01 37.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 72.34 111.124 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' HA3' ' HG2' ' A' ' 6' ' ' LYS . . . -134.88 -47.35 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.804 -0.712 . . . . 61.41 112.172 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 52.02 -83.62 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.624 0.972 . . . . 75.31 113.624 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 22' ' ' GLY . 4.3 pp -46.11 -33.41 3.5 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.56 0.948 . . . . 75.41 113.56 -168.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -79.81 39.53 2.2 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.837 -0.697 . . . . 74.35 112.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? 173.16 -41.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.493 0.717 . . . . 74.34 109.122 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.81 -46.7 84.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.981 -0.554 . . . . 71.53 110.966 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -31.55 72.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 75.43 110.916 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.44 -40.19 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 72.32 109.93 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -58.36 -42.4 86.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.906 -0.588 . . . . 74.32 109.825 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.72 -42.62 84.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.662 -0.699 . . . . 64.25 110.519 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 tp -71.2 -40.01 71.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 75.21 110.519 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.46 -0.72 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.321 -0.399 . . . . 74.14 111.178 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.8 m -79.62 -48.63 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.989 -0.375 . . . . 72.2 109.989 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.31 -22.96 18.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.842 0.353 . . . . 73.34 110.771 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.25 -10.0 61.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 72.21 111.557 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 60.31 21.3 10.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.167 0.587 . . . . 75.44 111.844 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.24 -27.11 62.47 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.131 -0.557 . . . . 62.14 111.765 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.74 67.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 65.22 111.337 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.35 -28.89 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 74.23 110.461 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -90.47 -59.82 2.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.227 0.537 . . . . 73.0 109.955 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 43' ' ' VAL . 31.6 t70 -56.08 -52.26 64.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.986 -1.006 . . . . 74.23 112.676 -171.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.48 -40.15 77.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.556 -0.293 . . . . 73.43 111.725 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -75.55 -40.64 56.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.984 0.421 . . . . 75.21 110.352 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.16 -36.34 77.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.544 -0.753 . . . . 74.31 111.815 -174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 39' ' ' ASP . 72.9 t -55.71 -47.22 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 70.14 110.846 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' HG13 ' A' ' 47' ' ' VAL . 94.8 mt -72.79 -39.22 66.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 74.33 110.462 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.9 -31.06 71.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.343 -0.844 . . . . 74.33 110.952 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.29 -39.59 20.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 74.42 111.247 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.702 HG12 ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -78.58 -27.12 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 112.067 0.395 . . . . 72.44 112.067 -174.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.702 ' HG ' HG12 ' A' ' 47' ' ' VAL . 92.6 mt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.8 -0.619 . . . . 64.52 110.645 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.454 ' H3 ' HG12 ' A' ' 47' ' ' VAL . 10.7 m . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.239 -0.282 . . . . 75.02 110.239 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -69.52 104.5 2.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.25 0.547 . . . . 72.41 110.721 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.45 155.88 39.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.189 -0.914 . . . . 74.22 109.489 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD21 ' H ' ' A' ' 4' ' ' LEU . 3.3 mm? -53.36 -49.92 66.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.225 -0.443 . . . . 73.02 111.595 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.41 -63.04 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.632 -0.258 . . . . 75.44 111.628 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -68.01 -33.25 74.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.122 0.416 . . . . 74.51 112.122 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.99 -37.48 22.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.725 -0.75 . . . . 64.4 113.5 -174.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -97.16 -49.16 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.984 0.392 . . . . 75.3 110.888 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.445 ' HA ' ' HZ1' ' A' ' 12' ' ' LYS . 21.5 t70 -89.33 -53.95 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.831 -0.348 . . . . 73.01 111.356 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.67 -29.16 69.25 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.293 -0.412 . . . . 62.11 113.43 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -8.83 54.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 72.32 111.593 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' HZ1' ' HA ' ' A' ' 9' ' ' ASP . 34.0 mtmm -84.22 4.59 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.789 0.292 . . . . 73.22 111.789 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -53.86 -50.31 66.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.056 0.455 . . . . 72.51 111.137 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 -14.03 50.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.926 -0.579 . . . . 63.12 111.06 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.2 t -83.71 -56.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.767 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.69 50.88 0.86 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 50.24 111.999 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' A' ' 23' ' ' LYS . . . -114.59 -57.93 0.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.771 -0.728 . . . . 71.44 112.377 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.5 pt? -60.84 -26.72 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.939 0.348 . . . . 74.15 111.939 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 26.45 16.68 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 62.43 112.352 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -144.32 112.72 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.058 -0.349 . . . . 74.32 110.058 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.93 -41.62 92.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.48 -0.327 . . . . 73.51 111.454 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.76 -4.48 33.43 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.16 -0.543 . . . . 63.14 113.096 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -112.35 -48.63 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.895 0.379 . . . . 74.31 110.192 178.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.22 -37.89 81.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.87 -0.605 . . . . 64.11 111.653 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.42 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.425 0.528 . . . . 72.02 112.425 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 23' ' ' LYS . 8.4 p -77.62 -26.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.501 -0.48 . . . . 74.12 110.649 -176.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 37.1 mt-10 -75.45 -14.29 60.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.346 -0.388 . . . . 73.24 110.892 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.56 -40.56 83.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 65.03 110.914 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.89 -44.67 63.35 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.865 -0.607 . . . . 73.24 111.493 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.58 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 9.6 pt-20 -72.56 -32.0 65.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.493 -0.321 . . . . 71.45 111.529 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -69.88 -48.15 59.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.542 0.21 . . . . 63.34 111.305 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.19 -22.46 31.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 62.12 111.329 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.86 12.56 56.26 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.64 -0.79 . . . . 71.54 112.825 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 64.97 8.19 4.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.035 0.534 . . . . 73.24 112.102 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.22 -28.12 60.72 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.902 -0.666 . . . . 55.22 111.945 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.23 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 70.15 111.553 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.26 -28.98 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 75.55 111.094 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -79.81 -51.0 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.618 -0.265 . . . . 74.02 111.139 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.09 -47.17 75.31 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.521 0.513 . . . . 73.52 111.89 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.19 -29.03 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 74.1 111.229 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -89.72 -6.14 56.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.648 0.261 . . . . 73.41 111.15 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.8 -38.9 80.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 61.42 110.714 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.05 -44.87 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.523 . . . . 64.54 111.38 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.1 pp -80.31 75.97 7.11 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 122.185 0.993 . . . . 73.2 111.296 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.47 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.463 -1.244 . . . . 61.2 108.453 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t -84.77 -46.5 11.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.423 -0.954 . . . . 75.31 108.423 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' H3 ' ' A' ' 1' ' ' SER . 28.9 t -99.19 94.33 3.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 73.22 109.415 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.507 -0.759 . . . . 64.41 110.329 -176.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.056 -0.35 . . . . 73.54 110.056 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.623 ' HA ' HD11 ' A' ' 8' ' ' LEU . 22.9 t -178.82 126.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.32 110.583 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.96 -38.92 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.78 -0.822 . . . . 64.21 108.78 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.442 ' HG ' ' OE1' ' A' ' 5' ' ' GLU . 17.3 tp -168.45 167.36 11.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.643 -1.243 . . . . 73.45 107.643 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' OE1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.71 -52.06 51.32 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.376 0.51 . . . . 73.44 112.376 -173.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -110.73 1.56 17.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 75.33 110.099 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' HB3' ' A' ' 4' ' ' LEU . . . -74.26 -30.93 59.98 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.661 -0.7 . . . . 73.22 111.693 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.623 HD11 ' HA ' ' A' ' 2' ' ' SER . 51.0 tp -62.24 -47.11 85.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 75.05 110.365 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.68 -25.07 58.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.359 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.56 -33.29 81.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.913 -0.66 . . . . 73.23 112.031 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.34 68.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 72.55 110.805 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -26.15 56.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.399 . . . . 72.1 110.263 177.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -76.92 -14.25 59.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 73.42 111.417 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.12 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.546 0.688 . . . . 71.33 109.814 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -126.83 60.36 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.011 -0.995 . . . . 73.31 109.149 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.6 19.98 1.84 Allowed Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.244 -0.889 . . . . 60.4 114.488 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.31 -67.73 1.85 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.729 -0.748 . . . . 73.4 111.651 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 51.6 -97.21 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.266 0.626 . . . . 72.2 111.645 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.05 12.75 11.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.776 -0.726 . . . . 75.44 112.551 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.93 41.59 0.44 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.882 0.372 . . . . 74.35 110.831 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.39 -18.65 64.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 75.33 111.235 -176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.02 -26.87 69.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.064 -0.588 . . . . 64.51 112.325 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.698 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -118.45 -33.43 4.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.643 0.258 . . . . 74.43 111.055 176.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.698 ' N ' ' HD3' ' A' ' 23' ' ' LYS . 22.3 t70 -64.12 -38.52 91.37 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.01 0.433 . . . . 73.11 111.206 -174.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -29.19 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 72.13 110.665 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.76 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 64.14 110.628 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -55.77 -57.15 13.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.012 0.434 . . . . 75.5 110.459 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -44.75 96.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 74.4 112.302 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 30' ' ' GLU . 4.7 pp -64.9 -31.06 72.11 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.923 0.342 . . . . 64.43 111.923 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.22 -22.66 23.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.367 -0.533 . . . . 74.11 110.503 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 66.9 m -74.22 -15.1 61.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.868 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.86 -40.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.183 0.515 . . . . 64.24 109.951 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.67 0.07 88.62 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.757 -0.656 . . . . 54.1 112.438 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -80.34 -16.06 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.103 0.478 . . . . 75.14 109.8 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.21 -24.71 67.55 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.657 -0.702 . . . . 73.44 112.235 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.73 66.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 75.35 110.864 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 -53.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.065 -0.516 . . . . 74.32 109.833 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -76.38 -70.98 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.284 -0.871 . . . . 75.21 112.204 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -39.4 80.34 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.289 0.635 . . . . 65.01 112.697 -168.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.86 -44.64 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.449 -0.342 . . . . 74.43 111.853 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.02 -31.41 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.89 -0.324 . . . . 75.31 111.545 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.65 -36.2 66.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 74.23 112.16 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.4 -36.83 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.614 0.245 . . . . 74.33 111.65 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.69 -21.99 15.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 74.35 111.363 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -80.88 -46.37 15.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.543 . . . . 72.54 109.805 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -99.82 50.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.517 -0.765 . . . . 75.31 109.395 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.41 137.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 75.44 111.18 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' OXT' HD12 ' A' ' 48' ' ' LEU . 2.7 pp . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.294 -0.86 . . . . 63.44 110.351 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.877 0.37 . . . . 65.1 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -96.88 113.96 25.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.155 0.503 . . . . 73.2 111.712 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.9 mt -90.4 76.91 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.527 -0.546 . . . . 71.13 109.527 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.9 tp -87.22 -50.1 6.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 75.25 110.784 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.544 ' OE2' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -88.39 12.11 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.342 0.591 . . . . 73.45 111.49 -174.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HG2' ' OE2' ' A' ' 5' ' ' GLU . 39.9 mmtm -112.27 -14.1 13.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.721 -0.672 . . . . 75.14 109.912 171.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.14 86.05 1.27 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.643 -0.708 . . . . 62.03 111.927 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 9' ' ' ASP . 1.9 tm? -53.93 132.87 42.82 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.809 -0.812 . . . . 71.34 108.809 175.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' N ' HD12 ' A' ' 8' ' ' LEU . 3.2 p-10 -51.75 -36.73 48.35 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.599 0.592 . . . . 73.51 112.599 -169.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.404 ' H ' HD12 ' A' ' 8' ' ' LEU . . . -63.06 -40.58 99.42 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.006 -0.616 . . . . 71.14 112.306 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.87 51.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.083 0.468 . . . . 71.3 110.778 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -65.17 -35.62 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.377 0.608 . . . . 75.43 109.488 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.836 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -70.27 -25.52 63.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.063 -0.971 . . . . 73.24 110.415 179.216 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.86 -8.61 56.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 71.1 110.361 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 43.2 t -101.41 -57.41 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.441 -0.799 . . . . 75.03 108.868 172.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.74 5.27 44.62 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.441 -0.8 . . . . 74.23 113.269 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.64 -98.59 0.48 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.232 -0.747 . . . . 74.14 111.232 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.7 pt? -86.85 -9.23 56.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.671 0.272 . . . . 74.41 110.406 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.25 -53.86 42.78 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.04 -0.527 . . . . 62.3 112.183 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 9.0 mmpt? -85.34 -30.26 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.205 -0.295 . . . . 73.05 110.205 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 20' ' ' LYS . 2.9 pp 56.12 -60.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.353 1.461 . . . . 74.42 113.279 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' N ' HD11 ' A' ' 21' ' ' LEU . . . -81.43 43.26 2.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.355 -0.45 . . . . 70.44 112.394 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 15' ' ' VAL . 17.2 tttp -130.25 7.86 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.776 -0.824 . . . . 74.43 108.776 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.91 -28.57 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.737 -1.12 . . . . 75.21 111.966 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 75.11 112.045 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.98 -46.38 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.066 -0.346 . . . . 75.24 110.066 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.25 53.6 2.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.944 0.878 . . . . 70.42 110.531 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -157.0 -40.93 0.07 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.174 -1.376 . . . . 74.33 108.659 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.39 -34.15 77.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.876 -1.056 . . . . 72.25 110.942 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -31.4 29.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.517 -0.31 . . . . 73.11 110.954 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -66.03 -46.64 77.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.118 -0.492 . . . . 72.23 110.711 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' A' ' 34' ' ' LYS . 7.8 p -73.53 -13.29 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.546 0.689 . . . . 73.13 110.215 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' O ' HG21 ' A' ' 37' ' ' VAL . . . 89.36 -12.73 65.73 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.824 -0.625 . . . . 74.02 113.218 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB2' HG13 ' A' ' 32' ' ' VAL . 4.7 tmtp? -59.69 -39.5 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 74.4 110.653 -175.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.59 87.64 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.798 -0.715 . . . . 44.31 112.436 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.8 -25.16 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.849 0.357 . . . . 64.33 110.941 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 33' ' ' GLY . 85.3 t -69.28 -42.4 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.174 -0.466 . . . . 75.2 111.01 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -119.07 -66.55 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.689 -0.404 . . . . 72.44 111.783 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -54.42 -46.35 73.19 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.473 0.545 . . . . 74.5 112.473 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.37 -34.83 69.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.955 0.407 . . . . 74.51 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -13.74 60.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.323 -0.399 . . . . 74.23 111.074 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -81.8 -28.49 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.744 -0.465 . . . . 61.14 109.744 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.26 -23.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 64.55 110.502 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.534 ' HA ' HG12 ' A' ' 47' ' ' VAL . 93.0 mt -56.73 -28.53 61.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.145 -0.479 . . . . 65.45 111.065 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.63 -25.81 68.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 74.35 111.064 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -104.05 -42.2 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.404 -0.362 . . . . 73.24 111.549 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 44' ' ' LEU . 14.5 p -75.57 141.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 71.13 111.483 -174.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.3 pt? . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.774 -0.632 . . . . 73.33 109.575 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 110.379 -0.23 . . . . 74.04 110.379 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -81.89 101.87 10.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.186 0.517 . . . . 75.34 110.762 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' HD12 ' A' ' 4' ' ' LEU . 58.8 mt -93.3 -41.74 9.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.721 -0.672 . . . . 70.41 109.861 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 3' ' ' LEU . 5.1 mp -122.1 164.86 17.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.482 -0.781 . . . . 75.23 109.158 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.22 -24.42 67.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.986 0.422 . . . . 75.31 110.094 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.24 -47.72 80.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.521 -0.763 . . . . 74.23 110.755 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 24.98 23.53 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.784 -0.644 . . . . 51.51 112.37 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.9 -56.07 9.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.045 -0.724 . . . . 73.53 109.045 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.23 -26.8 60.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.596 . . . . 74.52 110.647 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.07 -25.27 74.0 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.135 -0.555 . . . . 75.22 112.315 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.15 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 74.42 110.673 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.0 -47.54 8.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.434 -0.58 . . . . 75.35 109.434 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 tptm 60.07 28.41 17.96 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.559 -0.746 . . . . 73.5 110.989 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -53.26 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.204 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.31 -25.3 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 71.2 111.227 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.85 25.22 11.06 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.657 -0.782 . . . . 61.33 112.284 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.5 32.34 5.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.737 -0.744 . . . . 75.22 112.825 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.7 mt -77.94 -77.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.669 0.271 . . . . 71.11 110.503 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.3 51.56 0.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.781 -0.724 . . . . 72.12 111.78 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.99 74.81 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.81 0.338 . . . . 75.53 110.387 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.83 125.31 23.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 74.22 110.617 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.32 -35.48 4.72 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.117 -0.793 . . . . 70.14 111.117 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.51 5.25 52.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.517 0.675 . . . . 72.41 109.219 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.52 -40.63 9.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 75.13 109.979 175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.53 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 74.22 111.887 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 2.5 p -55.09 -52.24 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 74.22 111.671 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -78.75 -34.81 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.676 -0.238 . . . . 54.1 111.569 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.1 -42.19 99.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 61.42 110.388 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.41 -53.92 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 74.45 111.13 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 10.4 pt-20 -76.97 -12.34 59.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.815 -0.354 . . . . 70.21 111.395 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -68.72 -54.06 18.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.428 -0.582 . . . . 54.1 109.428 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.0 -20.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 74.2 110.671 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.37 75.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.86 -0.686 . . . . 32.12 111.602 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -69.81 -31.83 69.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.798 0.333 . . . . 73.02 110.633 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.06 -30.08 68.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.568 -0.825 . . . . 74.24 112.072 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . . . -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.843 0.312 . . . . 54.0 111.843 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 95.1 t -55.51 -43.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 123.145 0.278 . . . . 61.32 110.816 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -89.4 -16.29 31.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.982 -0.287 . . . . 75.31 110.938 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 17.1 t70 -73.21 -60.32 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 73.53 110.546 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.76 -23.07 30.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.368 0.604 . . . . 71.54 110.338 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 1.4 tppp? -61.98 -38.18 87.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.762 . . . . 75.31 110.513 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.66 -33.5 47.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 75.11 110.3 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.27 -41.99 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.4 -0.363 . . . . 75.35 111.04 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.82 -11.71 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.59 -0.277 . . . . 71.45 111.579 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.31 -47.3 5.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.362 -0.236 . . . . 74.43 110.362 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 70.05 105.21 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.672 0.789 . . . . 55.55 112.602 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.06 105.56 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.472 -0.785 . . . . 74.44 109.523 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.589 -0.719 . . . . 62.32 109.968 -178.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.708 0.29 . . . . 75.43 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.808 ' HB3' HD13 ' A' ' 8' ' ' LEU . 2.1 p -92.81 103.89 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.879 0.371 . . . . 75.12 110.992 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.56 -23.76 61.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 73.13 110.067 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp -163.23 167.22 22.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.629 -1.249 . . . . 72.02 107.629 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.77 -27.07 65.56 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.2 0.524 . . . . 74.15 110.094 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -92.4 -4.24 54.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.798 -0.637 . . . . 73.54 109.807 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 57.93 0.41 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.829 -0.623 . . . . 64.24 113.097 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 2' ' ' SER . 2.6 pt? -172.46 161.63 5.13 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.914 -0.402 . . . . 73.33 109.914 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.46 -25.93 23.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.565 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.58 13.53 16.71 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.679 -0.691 . . . . 75.21 113.775 -174.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.64 0.06 10.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.13 0.49 . . . . 62.25 110.536 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -118.35 -61.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 75.13 109.259 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 4.0 mmmp? 63.03 11.78 5.43 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.085 0.772 . . . . 75.53 113.085 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.74 -48.82 44.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.097 0.475 . . . . 74.43 110.439 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.6 t -97.42 -25.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.552 0.691 . . . . 74.15 109.428 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.41 65.72 3.05 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.315 -0.857 . . . . 54.34 112.735 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.61 -90.02 1.96 Allowed Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.491 -0.644 . . . . 72.42 111.491 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -100.76 1.06 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 75.4 110.695 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.52 5.0 85.65 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.604 -0.726 . . . . 62.41 111.991 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -121.16 97.19 5.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.446 -0.576 . . . . 72.25 109.446 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -98.88 -11.25 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.326 -0.397 . . . . 73.54 111.396 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.5 -16.48 58.63 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.193 -0.527 . . . . 70.21 113.037 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.608 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -80.84 -23.34 39.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.582 0.23 . . . . 75.02 111.362 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.608 ' N ' ' HD3' ' A' ' 23' ' ' LYS . 31.6 t70 -74.91 -56.56 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.64 0.607 . . . . 74.25 112.64 -167.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.02 -26.42 63.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.561 0.578 . . . . 74.34 112.561 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 13.1 p -90.2 -30.82 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.558 0.577 . . . . 74.32 112.558 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -57.83 -46.6 84.48 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.637 0.606 . . . . 74.33 112.637 -169.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.53 -31.8 69.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.122 0.487 . . . . 74.41 111.15 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.63 -48.71 37.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 72.21 111.254 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.62 -1.72 56.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 75.24 111.605 -175.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.4 t -63.05 -58.24 7.97 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.605 -0.517 . . . . 70.12 109.605 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.32 -15.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.76 -0.654 . . . . 71.15 110.681 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.24 -34.97 90.13 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.736 -0.665 . . . . 71.5 112.819 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.43 -22.01 65.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 0.269 . . . . 73.13 111.555 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.98 -44.99 1.55 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.641 -0.79 . . . . 41.45 111.883 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.148 0.425 . . . . 74.1 112.148 -175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.55 -45.47 98.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.715 0.293 . . . . 74.11 110.872 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.11 -38.11 81.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.075 -0.342 . . . . 73.13 110.075 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' HG21 ' A' ' 43' ' ' VAL . 11.5 t70 -59.21 -59.78 4.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 61.12 110.964 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.95 -43.67 85.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 73.22 111.06 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 tmtm? -60.1 -46.12 90.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 63.21 110.659 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.04 -42.02 98.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 75.3 110.695 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 39' ' ' ASP . 98.8 t -65.77 -42.88 93.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.715 -0.675 . . . . 73.34 111.342 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 4.6 pp -72.1 -23.09 61.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.675 -0.41 . . . . 62.52 111.881 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -91.25 -13.36 32.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.262 -0.575 . . . . 74.22 110.061 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 t -79.54 -39.57 31.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.652 -0.704 . . . . 75.11 110.043 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.56 171.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.89 -0.596 . . . . 75.43 111.233 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 48' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.647 -0.692 . . . . 74.44 109.429 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 51.9 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.981 0.419 . . . . 74.13 110.311 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -102.47 -57.12 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.948 -0.301 . . . . 73.31 111.515 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.39 -20.23 53.24 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.191 0.812 . . . . 74.44 113.191 -172.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 8' ' ' LEU . 8.8 tt -53.75 -45.15 70.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.844 0.354 . . . . 71.12 110.513 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' A' ' 7' ' ' GLY . 39.4 tt0 -117.96 15.03 14.25 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.607 -0.886 . . . . 74.22 108.607 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mttm 71.74 -37.91 0.4 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.947 -1.024 . . . . 71.43 111.085 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 5' ' ' GLU . . . -139.92 45.3 1.01 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.784 -0.926 . . . . 73.53 110.784 174.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 1' ' ' SER . 59.6 tp -62.69 -44.66 95.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.313 . . . . 62.4 111.458 -175.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -72.56 -10.4 59.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 73.5 110.402 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' HA2' ' HB2' ' A' ' 13' ' ' LYS . . . -69.09 -29.38 72.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.09 -0.576 . . . . 73.15 111.773 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.09 -20.45 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 63.44 110.718 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -111.2 10.12 21.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.12 109.9 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 27.0 tptt -80.36 -44.21 19.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.628 -0.714 . . . . 74.25 111.453 -171.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.62 -10.36 32.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.376 -0.374 . . . . 72.22 111.599 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.4 t -54.22 -45.14 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.253 -0.43 . . . . 63.41 111.391 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.17 1.83 58.6 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.667 -0.778 . . . . 74.24 113.36 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.26 -9.2 6.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.575 -0.821 . . . . 74.43 112.849 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -47.23 -61.21 2.0 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.398 0.518 . . . . 75.15 112.398 -174.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.77 17.49 59.17 Favored Glycine 0 C--O 1.226 -0.397 0 C-N-CA 120.48 -0.867 . . . . 73.33 112.57 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 1.007 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 5.7 mmpt? -130.35 -93.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.864 0.364 . . . . 73.43 111.77 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 20' ' ' LYS . 7.4 mp -69.14 -13.77 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.23 111.686 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.67 68.37 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.563 -0.615 . . . . 71.3 111.563 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -111.77 -54.03 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.141 -0.318 . . . . 73.42 110.141 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t70 54.88 73.08 0.43 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.42 -0.809 . . . . 64.23 110.329 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.58 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.388 -0.824 . . . . 74.05 111.039 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.25 -20.65 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.296 0.57 . . . . 75.21 110.829 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.12 -7.17 8.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.742 -0.663 . . . . 65.33 111.605 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 32' ' ' VAL . 16.1 t70 -61.36 -40.29 93.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.262 0.553 . . . . 75.31 109.916 173.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -76.89 -18.5 58.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 74.05 110.442 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -91.67 -50.99 5.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.669 -0.696 . . . . 63.33 111.609 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -65.48 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.503 -174.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 28' ' ' ASP . 27.8 m -77.86 -11.56 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 74.1 110.335 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.67 -33.72 55.15 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.955 -0.858 . . . . 73.01 110.955 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? 72.2 -4.48 1.99 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.383 0.673 . . . . 75.34 111.898 173.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.5 -14.54 78.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.016 -0.612 . . . . 71.35 112.603 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -24.19 50.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.687 0.254 . . . . 73.13 111.687 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 58.6 t -55.64 -34.55 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.197 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.35 -44.15 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 73.45 110.68 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.34 -42.56 99.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.908 -0.587 . . . . 70.02 111.688 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.53 -27.51 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.818 0.342 . . . . 73.54 110.559 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 50.6 tptt -59.32 -34.38 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.87 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.41 -25.63 64.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.27 -50.55 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.521 . . . . 74.24 111.253 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -82.04 -7.7 59.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.965 0.412 . . . . 61.14 110.44 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.01 -58.8 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.508 . . . . 71.15 109.915 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.3 m -108.27 93.83 4.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.915 -0.584 . . . . 73.21 109.784 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG11 ' HG ' ' A' ' 48' ' ' LEU . 12.2 p -91.01 -15.58 8.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.636 -0.711 . . . . 75.04 109.966 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HG ' HG11 ' A' ' 47' ' ' VAL . 93.0 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -0.804 . . . . 74.34 110.041 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 110.583 -0.155 . . . . 70.52 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.681 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 34.7 m 58.82 44.92 16.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.213 0.53 . . . . 73.13 110.374 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.55 -59.75 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 63.45 110.23 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.5 tp -139.56 -70.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.632 . . . . 72.34 109.422 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -97.14 50.11 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.349 -0.841 . . . . 74.41 109.016 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' A' ' 2' ' ' SER . 35.0 mmtp 59.98 -88.47 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.349 -0.841 . . . . 74.31 110.56 -172.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.81 48.41 0.38 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.476 -1.05 . . . . 72.32 110.476 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -40.35 -64.54 0.5 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.815 0.846 . . . . 75.2 112.854 -173.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.674 ' HA ' ' HZ3' ' A' ' 12' ' ' LYS . 12.8 t70 -102.46 -20.56 14.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.852 0.358 . . . . 71.41 110.74 -178.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.741 ' HA2' ' HD3' ' A' ' 13' ' ' LYS . . . -64.4 -17.32 61.79 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.928 -0.578 . . . . 62.44 113.017 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.61 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 75.04 111.52 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.674 ' HZ3' ' HA ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -110.92 23.4 14.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.719 0.295 . . . . 74.2 110.603 -178.559 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.741 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 4.1 tptp -73.38 -13.7 61.14 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.857 -0.337 . . . . 73.24 111.339 -177.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.44 87.12 3.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.727 -0.471 . . . . 74.42 109.727 175.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t 62.81 80.2 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.518 -0.765 . . . . 75.3 110.416 -173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.55 18.37 57.53 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.52 -0.764 . . . . 75.15 112.406 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.67 53.98 3.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.944 -0.646 . . . . 72.14 112.37 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.0 pt? -99.22 -50.37 4.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.969 0.414 . . . . 74.32 110.072 177.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' HG ' ' A' ' 18' ' ' LEU . . . -147.69 47.89 0.66 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.186 -1.166 . . . . 73.0 110.186 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 57.2 pttt -68.77 -21.13 64.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.342 -0.429 . . . . 74.12 111.916 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.48 -15.4 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.507 -0.315 . . . . 75.25 110.522 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.01 -63.59 5.06 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 116.036 -0.529 . . . . 74.31 112.821 -177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.1 pttt -92.43 -5.78 51.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.793 -0.363 . . . . 73.14 110.305 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 73.18 -40.55 0.47 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.611 0.765 . . . . 74.33 112.469 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.47 58.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.49 . . . . 72.42 112.099 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t -132.2 -53.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 75.45 109.036 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.33 -22.5 66.97 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.687 -0.688 . . . . 71.53 110.309 174.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.488 ' O ' HG11 ' A' ' 32' ' ' VAL . 10.5 t70 -53.24 -62.13 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 64.14 111.158 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.2 -29.55 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.29 -176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.97 -52.66 8.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.181 -0.463 . . . . 72.5 110.276 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -67.62 -32.27 72.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 73.43 112.467 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG11 ' O ' ' A' ' 28' ' ' ASP . 27.1 m -61.8 -20.78 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.66 0.267 . . . . 72.33 111.385 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.67 14.61 12.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.743 -0.741 . . . . 73.41 111.652 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 54.2 41.02 32.2 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.225 0.536 . . . . 74.53 110.754 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.98 49.96 1.11 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.847 -0.901 . . . . 63.23 110.847 -175.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.3 2.39 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.207 0.447 . . . . 72.12 112.207 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.44 -32.55 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.021 0.438 . . . . 64.44 111.121 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -75.37 -68.15 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 62.22 111.051 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 75.12 112.253 -170.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.0 t -57.0 -46.43 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.481 0.181 . . . . 75.44 111.355 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -75.34 -26.31 58.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.913 0.387 . . . . 73.53 110.763 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -76.6 -38.01 55.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.043 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 39' ' ' ASP . 99.4 t -66.79 -38.49 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 65.12 111.39 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 pp -97.01 23.08 7.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.721 0.296 . . . . 75.5 111.335 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.91 -48.86 62.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 74.31 111.113 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 t -85.41 70.13 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.553 0.692 . . . . 74.25 110.961 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -108.14 -25.85 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.652 -0.87 . . . . 72.2 108.652 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.246 0.909 0 CA-C-N 114.967 -1.015 . . . . 74.12 109.716 179.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 120.873 0.368 . . . . 72.34 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -84.19 94.89 8.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.927 0.394 . . . . 71.12 110.476 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.32 -21.41 36.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.062 -0.517 . . . . 74.02 110.749 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp -170.47 171.9 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.183 -1.043 . . . . 75.42 108.183 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.84 -52.88 55.52 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.289 -0.634 . . . . 73.44 109.289 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -74.19 102.33 4.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.785 -0.821 . . . . 75.53 108.785 170.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.84 -50.09 0.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.863 -1.062 . . . . 64.01 110.602 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 9' ' ' ASP . 4.4 pp -75.68 -26.94 58.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.387 -0.597 . . . . 75.35 109.387 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' N ' HD13 ' A' ' 8' ' ' LEU . 10.3 p-10 -77.21 -26.63 52.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.486 -0.779 . . . . 73.23 109.754 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.0 -30.9 40.93 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.511 -0.768 . . . . 74.42 112.213 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.14 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.468 . . . . 64.54 111.471 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -4.95 59.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.095 0.474 . . . . 74.52 110.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -101.28 -37.7 8.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.078 -0.51 . . . . 72.53 110.827 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.46 -31.45 72.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.539 . . . . 71.41 111.13 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.56 -23.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.233 0.54 . . . . 72.41 110.442 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.78 -24.72 44.5 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.829 -0.7 . . . . 43.52 111.784 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.43 16.03 26.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.118 -0.563 . . . . 41.02 112.734 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.91 -21.93 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 73.12 110.496 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.04 64.12 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.717 -0.754 . . . . 64.24 112.062 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -132.58 127.54 35.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.671 0.272 . . . . 73.13 110.359 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.87 117.85 8.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.035 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.04 -39.55 2.29 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.89 -0.884 . . . . 70.41 110.89 -173.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -96.14 -19.75 19.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.669 -0.493 . . . . 75.43 109.669 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.54 -50.67 67.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.066 -0.97 . . . . 74.32 111.349 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.536 . . . . 74.23 111.285 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 20.3 t -72.19 -51.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 65.3 109.903 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -61.45 -32.93 72.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 71.24 110.253 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.35 -45.42 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 41.45 111.146 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 4.0 pp -72.81 -30.57 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.954 0.407 . . . . 73.34 110.394 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.28 6.11 24.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.139 0.495 . . . . 75.14 110.663 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -91.37 -40.44 11.45 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.983 -0.747 . . . . 73.23 108.983 172.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -79.62 -28.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.216 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.19 1.86 84.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.966 -0.635 . . . . 74.44 111.847 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.66 -48.93 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 72.42 110.403 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.07 72.63 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.842 -0.617 . . . . 71.4 112.537 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' O ' HG21 ' A' ' 40' ' ' VAL . . . -66.24 -55.88 14.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.694 0.283 . . . . 44.42 110.599 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.5 -35.11 57.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.329 0.585 . . . . 71.32 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.93 -45.06 83.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.44 -0.8 . . . . 72.55 110.607 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 41' ' ' LYS . 30.2 t70 -63.83 -39.47 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.23 111.506 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 36' ' ' ALA . 14.3 t -75.99 26.88 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.877 0.846 . . . . 73.41 110.611 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 58.0 tttm -150.19 -42.01 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.807 -0.812 . . . . 73.42 108.807 172.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.75 -47.24 64.17 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.342 -0.845 . . . . 72.2 111.395 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -91.63 -10.84 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.39 0.614 . . . . 74.22 110.395 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . 55.7 tp -83.07 -39.61 20.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.505 . . . . 75.45 111.406 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.0 -17.13 62.07 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.938 0.399 . . . . 72.35 110.537 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -70.05 106.37 3.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.807 -0.633 . . . . 74.34 110.928 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.7 p -153.61 155.23 6.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.363 -0.606 . . . . 71.14 109.363 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.33 -0.843 . . . . 72.21 110.269 -178.48 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.785 0.326 . . . . 73.45 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 p -125.55 161.48 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.578 -0.283 . . . . 73.5 110.682 -177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.32 -85.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.44 111.402 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.5 tp -121.71 144.44 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.335 -0.393 . . . . 71.32 110.918 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -52.72 -51.66 59.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.727 -0.67 . . . . 65.33 111.27 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -92.76 22.19 4.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.492 . . . . 72.22 110.946 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 34.28 1.13 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 71.34 111.676 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 110.78 19.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.567 -0.531 . . . . 74.23 109.567 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -66.75 -23.41 66.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.392 . . . . 72.21 111.18 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.87 69.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.078 -0.582 . . . . 72.44 112.233 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.06 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.544 0.212 . . . . 73.53 111.36 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.01 -34.86 8.31 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.678 -0.409 . . . . 75.53 111.41 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -39.56 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.208 -0.308 . . . . 71.43 111.129 -174.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.06 5.69 32.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.589 0.233 . . . . 74.53 111.51 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.52 -22.33 4.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 72.24 110.307 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.96 -29.48 3.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.757 -0.735 . . . . 73.23 112.381 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.98 -113.83 5.69 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.06 -0.59 . . . . 73.5 111.75 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -114.35 3.42 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.176 0.512 . . . . 64.13 110.462 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.79 -50.68 0.78 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.682 -0.69 . . . . 73.24 111.773 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 70.75 -56.23 0.62 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.523 0.729 . . . . 73.04 112.38 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.88 -16.01 47.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.294 . . . . 73.53 111.7 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.47 -20.53 63.6 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.792 -0.718 . . . . 61.33 112.024 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.873 ' HZ1' ' HB3' ' A' ' 23' ' ' LYS . 3.4 mmmp? -72.29 -23.93 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.223 0.209 . . . . 74.33 111.261 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -49.09 -55.71 11.34 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.594 0.559 . . . . 43.33 112.236 -174.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.55 -22.78 58.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 65.25 111.505 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -83.64 -25.34 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.527 -0.306 . . . . 72.35 111.211 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.731 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 24.8 mt-10 -62.79 -18.57 62.93 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 112.17 0.433 . . . . 73.03 112.17 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.65 -19.65 44.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 65.14 110.529 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.6 tp -105.83 -35.53 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 75.21 111.113 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.731 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 12.1 pt-20 -67.5 -25.11 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 75.54 111.177 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -68.17 -40.43 82.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.382 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -79.79 -22.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.835 0.35 . . . . 73.43 110.211 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.69 61.41 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.885 -0.598 . . . . 65.51 113.583 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 64.03 9.44 4.63 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.903 0.481 . . . . 72.04 111.471 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.76 47.3 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.505 -0.638 . . . . 54.4 111.505 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -19.02 57.58 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.901 0.334 . . . . 63.42 111.901 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.34 -35.09 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.32 -0.4 . . . . 75.24 110.701 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -91.18 -43.81 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 75.12 109.68 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' HG21 ' A' ' 43' ' ' VAL . 10.8 t70 -65.7 -50.06 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.93 -1.032 . . . . 74.41 112.411 -169.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 88.8 t -62.33 -36.04 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 71.0 111.214 -175.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.36 -23.53 66.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.802 0.334 . . . . 73.3 110.824 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 -40.63 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.034 0.445 . . . . 75.51 109.975 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 39' ' ' ASP . 48.1 t -63.9 -41.78 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.562 -0.744 . . . . 73.23 111.232 -178.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 pp -79.63 2.43 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.034 0.445 . . . . 74.53 111.288 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -108.7 13.15 25.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.742 0.782 . . . . 74.15 109.966 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.7 p -78.59 3.41 16.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 53.43 111.312 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.67 121.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 73.11 110.737 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 48' ' ' LEU . 4.8 mp . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 74.51 110.235 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.978 0.418 . . . . 72.42 110.578 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -166.75 157.0 11.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.507 -0.553 . . . . 71.12 109.507 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -141.62 -36.03 0.44 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.582 -0.281 . . . . 75.44 110.838 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -140.2 175.76 9.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.967 -0.383 . . . . 64.44 109.967 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.26 -39.56 92.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.195 0.521 . . . . 74.34 109.958 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -90.07 7.41 37.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.641 -0.709 . . . . 72.43 110.379 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.35 26.84 6.24 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.34 -0.704 . . . . 72.23 111.34 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 3.2 tt -90.44 102.18 14.91 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.553 -0.906 . . . . 74.03 108.553 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.97 -45.85 64.57 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.7 -0.682 . . . . 73.34 112.483 -172.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.54 95.61 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.036 -0.602 . . . . 65.51 112.533 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . . . -73.05 -31.13 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.897 0.38 . . . . 74.54 111.016 -177.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.89 -16.53 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.106 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 7.9 ptpp? -119.29 22.19 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.848 0.356 . . . . 74.24 110.938 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.69 -58.05 3.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 64.1 110.464 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.59 -34.35 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 75.13 110.116 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.26 -91.62 0.67 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.655 -0.783 . . . . 75.35 111.876 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.59 ' HA2' ' HB2' ' A' ' 13' ' ' LYS . . . 73.71 -77.73 0.92 Allowed Glycine 0 C--O 1.228 -0.271 0 C-N-CA 121.143 -0.551 . . . . 72.11 112.651 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 18' ' ' LEU . 5.7 mp -73.17 -29.13 62.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.342 0.591 . . . . 75.14 109.771 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.23 98.68 2.11 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.382 -0.826 . . . . 73.35 111.994 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -82.8 51.07 1.82 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.673 0.749 . . . . 75.23 109.651 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.828 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.6 pp -53.14 -25.38 13.2 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.97 -1.014 . . . . 74.45 113.49 -170.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -59.76 -37.42 92.4 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.8 -0.714 . . . . 74.42 112.054 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 -26.47 12.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.322 0.582 . . . . 74.35 109.62 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.828 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 15.7 t70 -61.36 -43.73 98.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.112 -0.949 . . . . 70.32 111.172 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.37 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 64.41 111.263 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.31 -30.93 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.376 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.04 -20.84 65.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 73.04 110.778 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' A' ' 34' ' ' LYS . 23.0 t70 -63.9 -34.27 77.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.26 0.552 . . . . 73.51 110.075 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.708 HD11 ' HA3' ' A' ' 35' ' ' GLY . 35.7 tp -85.56 -46.52 10.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.9 -0.591 . . . . 74.13 110.084 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.3 -71.16 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.518 -0.765 . . . . 75.55 112.426 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 m -61.04 -40.03 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.163 0.431 . . . . 73.35 112.163 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.03 -38.61 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 71.31 110.717 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.32 74.43 0.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 62.54 112.487 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' A' ' 28' ' ' ASP . 55.1 mtmt -129.46 3.72 5.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.062 0.393 . . . . 74.15 112.062 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.708 ' HA3' HD11 ' A' ' 29' ' ' LEU . . . -137.07 -26.0 0.4 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 119.548 -1.31 . . . . 75.04 114.292 -173.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -60.72 2.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.008 0.404 . . . . 75.22 111.843 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 t -94.76 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.307 0.575 . . . . 64.43 110.159 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 33.4 t-80 -168.89 -53.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.685 -0.689 . . . . 74.5 110.293 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.6 t70 -74.44 -55.66 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.475 -0.329 . . . . 74.25 110.218 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 t -56.58 -29.73 30.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 72.34 110.356 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 38' ' ' HIS . 7.3 tmtm? -54.28 -48.37 71.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.526 -0.761 . . . . 74.13 110.701 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.08 -31.36 50.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 62.23 110.655 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 39' ' ' ASP . 60.6 t -63.31 -39.1 84.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.113 -0.494 . . . . 62.25 110.359 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.5 tp -68.32 -37.19 80.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.751 -0.658 . . . . 73.51 110.622 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -65.24 -57.0 9.59 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.987 0.422 . . . . 73.45 109.938 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t 60.04 82.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.029 -0.987 . . . . 73.13 111.149 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -86.37 -30.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.01 -0.737 . . . . 74.51 109.01 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--O 1.243 0.76 0 CA-C-N 115.04 -0.982 . . . . 55.12 109.519 174.507 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.202 0.525 . . . . 62.21 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -89.25 168.25 12.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.664 -0.698 . . . . 73.3 110.385 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.628 HD22 ' H ' ' A' ' 3' ' ' LEU . 2.5 pt? -79.57 39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 74.2 110.144 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.87 -74.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.49 -175.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -72.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 74.52 110.197 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -78.3 29.18 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.109 0.411 . . . . 73.25 112.109 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.36 -84.92 0.28 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.811 -0.709 . . . . 65.4 112.054 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.61 -54.32 33.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.924 0.393 . . . . 75.31 110.267 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.515 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 22.1 t70 -81.91 -17.79 45.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.396 0.617 . . . . 75.44 110.044 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.59 -22.56 73.43 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.326 -0.71 . . . . 63.33 111.326 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 15' ' ' VAL . . . -60.84 -33.53 73.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.586 0.231 . . . . 65.15 110.562 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -64.74 -37.86 89.02 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 120.943 0.401 . . . . 74.22 110.515 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -73.47 -19.31 60.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.752 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.62 -48.54 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.199 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 11' ' ' ALA . 11.2 p -76.39 -23.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 74.33 110.511 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.56 60.79 4.7 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 116.001 -0.545 . . . . 55.22 112.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.53 -38.05 7.81 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.571 -0.823 . . . . 45.11 111.114 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.79 8.26 32.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.995 0.426 . . . . 75.45 110.807 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.59 58.77 0.19 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 121.032 -0.604 . . . . 73.24 111.739 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 30.1 ttmt -71.04 -24.42 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.402 0.62 . . . . 72.34 110.114 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD21 ' H ' ' A' ' 21' ' ' LEU . 2.4 pt? -126.78 147.82 49.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 71.44 109.303 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -45.5 1.99 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.716 -0.754 . . . . 75.44 112.131 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -72.88 -21.28 60.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 73.14 110.619 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -68.06 -30.02 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 74.43 110.19 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -23.42 42.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.186 0.517 . . . . 72.32 110.383 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -72.28 -33.29 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 71.33 110.528 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -51.4 -55.21 19.89 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.027 -0.533 . . . . 74.04 110.944 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.492 ' O ' HG11 ' A' ' 32' ' ' VAL . 16.8 t70 -51.1 -50.06 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.758 -0.655 . . . . 71.14 111.44 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.48 -46.69 80.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.978 -0.555 . . . . 75.52 112.106 -175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -18.62 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 71.22 111.878 -175.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 m -82.59 -37.59 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.164 -0.335 . . . . 74.42 111.127 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 28' ' ' ASP . 5.8 p -87.77 -24.94 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.86 0.362 . . . . 72.33 110.448 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.72 74.21 0.67 Allowed Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 72.0 112.674 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -81.64 -81.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.947 -0.301 . . . . 75.55 111.093 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.11 -28.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.216 -0.992 . . . . 61.4 113.678 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -45.18 -51.85 10.07 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.644 0.609 . . . . 65.03 112.644 -175.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.61 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.046 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -63.41 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 75.22 110.303 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.25 -43.36 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 72.41 111.569 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 36' ' ' ALA . 93.8 t -58.82 -42.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 73.43 110.498 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.686 ' HD2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -70.39 -40.62 73.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 72.33 109.695 178.295 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.24 -44.39 95.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.699 -0.682 . . . . 74.02 112.184 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.18 -46.07 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.689 0.28 . . . . 74.12 111.449 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.8 tp -70.66 -64.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 75.05 110.874 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.686 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . 29.2 t70 -83.11 82.05 8.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.703 0.763 . . . . 74.3 109.945 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -139.86 -36.84 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.412 -1.267 . . . . 73.42 109.275 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.82 97.36 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.931 -0.577 . . . . 73.41 109.763 176.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.548 -0.739 . . . . 74.52 110.19 -177.703 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 121.012 0.434 . . . . 73.43 110.383 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -71.0 120.84 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.808 -0.633 . . . . 74.42 110.282 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.5 -27.44 13.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.757 0.313 . . . . 75.23 111.068 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 12.8 tp -161.77 -177.01 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.315 -0.995 . . . . 72.34 108.315 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.703 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.18 -31.99 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.389 0.54 . . . . 74.24 110.682 -178.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.703 ' HD3' ' HG2' ' A' ' 5' ' ' GLU . 3.6 mppt? -98.29 -4.4 35.19 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.71 -0.478 . . . . 75.15 109.71 168.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.4 52.63 4.12 Favored Glycine 0 N--CA 1.454 -0.147 0 CA-C-N 115.835 -0.62 . . . . 64.13 112.559 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -164.19 -70.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.138 -1.06 . . . . 73.12 108.138 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.87 -43.9 67.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.67 -0.696 . . . . 71.13 111.195 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.37 -16.64 75.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.855 -0.688 . . . . 51.22 112.951 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.27 -11.46 27.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.704 0.288 . . . . 50.42 110.905 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -135.29 33.41 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.504 . . . . 74.53 109.638 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -64.16 91.63 0.07 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.461 -0.79 . . . . 74.32 112.334 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.13 19.5 1.47 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.254 -0.885 . . . . 64.54 112.577 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t 58.33 95.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 109.047 -0.723 . . . . 74.23 109.047 -169.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.2 47.27 2.28 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.713 -0.676 . . . . 54.04 113.992 -169.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.78 -13.41 53.44 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.9 -0.666 . . . . 65.13 111.812 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.3 pt? -82.12 91.17 6.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.475 0.655 . . . . 72.1 110.692 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.18 -40.77 2.38 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 115.695 -0.684 . . . . 74.24 113.7 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.647 0.223 . . . . 75.43 110.94 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt 75.08 -48.57 0.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.512 0.725 . . . . 72.33 112.679 174.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.97 -48.99 13.96 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.498 0.559 . . . . 72.54 114.498 -174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.54 -53.53 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.087 0.444 . . . . 75.2 111.128 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.89 -28.75 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.248 0.547 . . . . 61.24 111.282 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 -9.71 59.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.987 -0.551 . . . . 71.33 112.19 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.34 -33.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.478 -0.489 . . . . 74.11 112.007 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.15 -48.98 75.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 74.21 111.596 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.4 -33.46 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.976 0.417 . . . . 65.14 110.694 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.18 -41.47 97.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 72.35 111.792 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -89.66 -30.63 17.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.838 0.31 . . . . 71.2 111.838 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 t -75.02 -20.28 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 72.15 111.403 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.4 p -80.66 36.71 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-O 121.813 0.816 . . . . 72.33 111.566 -176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.6 11.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.843 -0.694 . . . . 71.31 113.387 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -100.08 -74.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.522 -0.399 . . . . 75.43 110.874 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.51 -37.46 14.22 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.681 -0.771 . . . . 73.55 112.781 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.15 -44.42 61.42 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.411 0.523 . . . . 70.01 112.411 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -25.25 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.635 -0.257 . . . . 71.32 111.68 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -71.83 -40.42 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 74.25 110.408 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.4 -42.56 35.82 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.07 -0.513 . . . . 72.13 110.391 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' ALA . 75.7 t -58.57 -40.92 80.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 55.31 110.729 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -52.32 -51.31 59.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.333 -0.394 . . . . 75.21 110.707 179.395 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.22 -49.78 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.848 -0.615 . . . . 73.53 111.761 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.13 -45.99 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.378 -0.374 . . . . 74.31 111.468 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.97 -32.36 74.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 71.3 111.053 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -78.33 -26.89 46.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 73.25 110.694 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -79.03 -56.0 4.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.315 -0.402 . . . . 71.11 110.395 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -134.57 141.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 74.13 110.945 -174.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.582 -0.723 . . . . 75.35 109.578 178.014 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 110.095 -0.335 . . . . 74.12 110.095 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.554 ' HB3' HD23 ' A' ' 4' ' ' LEU . 32.4 m -60.37 116.75 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 65.42 110.476 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pp -80.36 20.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.121 0.486 . . . . 63.22 111.763 -177.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 2' ' ' SER . 3.4 mm? -75.1 -168.38 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.209 -0.663 . . . . 71.14 109.209 173.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.71 -4.64 4.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 72.34 112.396 -174.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -16.13 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.647 0.26 . . . . 73.23 110.843 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.16 -43.93 0.28 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.881 -0.676 . . . . 75.52 111.589 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.35 103.05 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.963 -0.754 . . . . 74.25 108.963 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.478 ' OD1' ' HG2' ' A' ' 12' ' ' LYS . 10.3 t70 -82.34 119.07 23.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.09 0.472 . . . . 75.41 111.286 -175.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.8 -11.46 12.71 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.895 -1.282 . . . . 73.55 109.895 170.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.95 82.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.048 -0.576 . . . . 74.23 112.308 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HG2' ' OD1' ' A' ' 9' ' ' ASP . 33.5 mmtm -76.73 -34.12 58.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.338 0.59 . . . . 73.54 110.038 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 8.9 mtpm? -75.31 -37.66 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.713 -0.676 . . . . 71.44 111.534 -175.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.16 -49.19 46.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 74.12 111.47 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.56 -20.72 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.335 0.588 . . . . 72.42 111.05 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.82 -6.58 88.3 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.569 -0.824 . . . . 54.43 112.039 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.09 -87.95 0.39 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.121 -0.562 . . . . 74.43 112.087 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 18' ' ' LEU . 1.5 pt? -98.91 23.95 8.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 73.52 110.317 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.18 5.25 43.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.687 -0.768 . . . . 74.44 112.371 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp 76.39 -12.44 1.03 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.73 0.812 . . . . 72.32 111.748 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . 10.3 mp -59.56 -22.87 62.33 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.878 0.325 . . . . 74.14 111.878 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.75 -33.99 88.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 62.22 111.666 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -90.76 -28.89 17.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.665 0.269 . . . . 74.24 110.381 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.674 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 1.8 m-20 -57.1 -37.9 72.59 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.036 -0.529 . . . . 64.44 110.904 175.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.54 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 74.32 111.728 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.04 -50.62 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 75.15 110.623 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.97 -53.83 40.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.695 -0.684 . . . . 72.43 111.25 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -64.29 -34.97 79.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 73.45 111.999 -172.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.38 -44.31 87.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 63.04 111.52 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -90.45 -19.69 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.627 -0.429 . . . . 74.51 111.768 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 t -69.77 -24.12 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 72.33 110.508 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 m -93.81 6.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 75.11 111.0 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.21 49.94 49.07 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.967 -0.56 . . . . 61.12 113.238 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -113.62 21.02 15.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.511 0.672 . . . . 73.31 110.455 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 -56.02 0.52 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 45.5 112.346 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.39 -0.7 26.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.703 0.287 . . . . 74.12 111.54 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.69 -22.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 75.5 111.045 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.3 -40.69 43.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 74.53 110.908 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.0 -30.92 65.72 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.593 0.59 . . . . 75.51 112.593 -173.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.94 -43.75 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.758 -0.377 . . . . 74.42 110.572 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -70.3 -42.61 71.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 74.13 110.425 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.59 -46.82 88.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.656 -0.702 . . . . 73.32 111.434 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.18 -50.41 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 75.4 111.675 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.56 -25.63 68.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.815 0.341 . . . . 75.45 111.443 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -20.16 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.354 -0.385 . . . . 75.33 110.641 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -88.81 -10.86 46.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 71.11 111.289 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.46 125.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.552 . . . . 75.33 110.865 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.831 HD23 ' H ' ' A' ' 48' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.179 -0.915 . . . . 62.43 110.546 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.6 0.238 . . . . 54.54 110.532 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.567 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 21.8 m 66.95 10.84 7.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.811 -0.631 . . . . 75.01 112.18 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -76.91 -63.23 1.41 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.701 -0.852 . . . . 74.35 108.701 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 97.0 mt -87.6 -22.84 24.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.452 0.644 . . . . 71.32 109.641 176.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 28.1 mt-10 -73.81 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.061 -0.972 . . . . 64.12 111.538 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -133.31 -53.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.472 -0.331 . . . . 74.21 110.608 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.09 -10.17 68.28 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.064 -0.516 . . . . 71.12 113.457 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 58.5 tp -102.95 -61.7 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.008 0.404 . . . . 75.2 110.459 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -58.61 -46.82 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.446 -178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.11 -25.82 73.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.946 -0.645 . . . . 62.14 112.888 -175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.51 92.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.864 0.364 . . . . 73.34 111.339 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 4.1 mptp? -78.59 -3.43 43.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 73.15 110.848 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 1.4 tmtp? -97.5 -36.24 10.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.004 -0.739 . . . . 74.52 109.004 174.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -28.95 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 73.22 111.547 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.66 -4.43 5.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.54 0.686 . . . . 73.35 110.728 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.715 ' HA3' ' HB3' ' A' ' 20' ' ' LYS . . . 91.8 -53.61 2.99 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.916 -0.583 . . . . 73.21 112.412 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.85 -100.39 0.76 Allowed Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.831 -0.508 . . . . 71.52 111.831 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -100.14 -11.0 20.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.006 0.431 . . . . 74.0 110.428 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.37 16.61 31.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.751 -0.738 . . . . 75.32 111.742 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.715 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -79.78 154.84 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.326 -0.25 . . . . 75.42 110.326 -178.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.8 mt 72.2 -10.02 0.95 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.48 0.712 . . . . 74.43 110.959 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' LYS . . . -85.83 -56.79 2.27 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 60.34 111.972 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -89.61 -25.08 21.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.172 -0.211 . . . . 74.23 111.185 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 72.81 -61.36 0.5 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.157 0.799 . . . . 74.0 113.157 169.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.1 67.63 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.914 0.709 . . . . 74.3 112.914 -171.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG11 ' HG3' ' A' ' 27' ' ' GLU . 11.7 p -62.93 -26.88 42.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.125 0.488 . . . . 73.34 111.297 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.565 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 18.7 mt-10 -90.8 -5.58 55.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 74.31 110.876 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -87.57 -55.97 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 72.54 111.239 -174.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.36 -25.48 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.525 -0.307 . . . . 70.34 111.817 -173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -25.21 55.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 75.23 110.488 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -79.57 -34.11 41.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 75.14 109.82 174.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.23 -38.73 81.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.821 -0.627 . . . . 71.52 110.549 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.48 -62.77 4.01 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.821 -0.704 . . . . 71.23 112.571 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.75 -28.63 68.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.444 0.164 . . . . 75.55 111.151 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.99 -42.77 95.08 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.87 -0.681 . . . . 73.4 111.836 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.53 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.744 0.307 . . . . 74.14 110.292 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.95 -43.85 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 72.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -71.86 -67.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 75.33 111.763 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -34.11 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -166.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.49 -40.64 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 74.21 110.009 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -95.66 33.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.634 0.73 . . . . 73.1 109.547 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.54 -58.15 1.34 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.381 -0.827 . . . . 65.13 109.886 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.33 -61.76 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.35 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 15.31 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.38 0.61 . . . . 74.41 110.969 -178.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.75 -11.14 20.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 m 64.26 26.48 13.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.614 -1.176 . . . . 74.51 111.444 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 47' ' ' VAL . 5.5 p -93.34 89.56 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 121.934 0.873 . . . . 64.41 110.35 177.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.359 -0.829 . . . . 75.32 109.81 178.629 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.154 -0.313 . . . . 71.42 110.154 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.616 ' HB3' HD11 ' A' ' 8' ' ' LEU . 19.3 m -104.05 99.18 8.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.058 0.456 . . . . 75.21 110.351 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HB2' HD21 ' A' ' 4' ' ' LEU . 72.9 mt -95.71 -48.27 5.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.4 110.963 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 3' ' ' LEU . 2.3 pt? -157.22 -166.79 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.251 -0.431 . . . . 54.01 109.946 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' HG2' ' HZ3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -57.17 -65.94 0.54 Allowed 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.441 0.463 . . . . 73.22 109.888 177.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -84.55 72.13 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.67 0.748 . . . . 75.33 109.471 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.95 37.62 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.495 -1.23 . . . . 73.43 110.443 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 2' ' ' SER . 29.0 tp -95.54 -28.72 14.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.652 . . . . 70.33 109.579 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.96 -55.37 5.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.865 -1.061 . . . . 54.3 111.055 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.46 23.49 77.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.439 -0.664 . . . . 70.35 111.439 -174.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.46 -52.55 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 75.42 110.238 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.52 -36.27 68.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.295 -0.632 . . . . 73.3 109.295 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.79 -30.83 71.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.337 -0.847 . . . . 72.21 110.085 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.31 50.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 72.22 111.975 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.31 -27.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.837 -0.345 . . . . 70.11 111.527 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.83 -62.76 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.124 -0.56 . . . . 75.43 112.752 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.32 -12.86 64.98 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 62.12 112.787 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -58.78 -30.15 67.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.873 0.368 . . . . 74.33 111.941 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.58 19.43 9.09 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.566 -0.826 . . . . 72.33 112.413 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -119.04 99.42 6.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.172 -0.307 . . . . 74.44 110.172 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.26 125.49 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.942 0.401 . . . . 70.01 110.294 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.18 -42.26 2.01 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.759 -0.936 . . . . 74.14 110.759 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -74.97 -22.42 58.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.445 0.641 . . . . 74.44 109.363 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.44 -15.47 57.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.879 . . . . 74.21 110.75 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.17 -31.01 58.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.414 . . . . 73.53 111.299 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.698 ' HA ' HD22 ' A' ' 29' ' ' LEU . 9.3 p -89.29 -12.93 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.131 0.491 . . . . 75.23 110.537 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -48.53 81.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.73 -0.668 . . . . 63.25 110.834 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.7 -56.95 13.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.599 -0.728 . . . . 74.31 112.093 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.86 -25.08 68.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.529 -0.305 . . . . 71.24 111.777 -176.065 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 43.0 mt-10 -70.72 -66.71 0.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.469 . . . . 74.04 110.672 177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.9 m -67.66 -25.14 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 71.33 112.566 -171.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.96 -47.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.759 -0.376 . . . . 75.14 110.804 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.47 -43.94 52.14 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.905 -0.664 . . . . 65.44 112.955 -176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -83.03 -20.54 34.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.145 0.498 . . . . 75.15 110.27 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.55 48.27 0.96 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.465 -0.874 . . . . 71.42 113.242 -175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.34 79.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.239 0.542 . . . . 74.23 109.618 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.43 -27.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.71 -0.677 . . . . 74.42 110.013 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -61.93 -39.59 92.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.58 -0.736 . . . . 74.31 110.349 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.25 -42.12 60.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 74.21 110.844 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.66 -33.45 63.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.017 -0.538 . . . . 70.42 110.699 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HZ3' ' HG2' ' A' ' 5' ' ' GLU . 48.9 tttm -54.97 -42.27 72.17 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.709 -0.678 . . . . 73.34 111.033 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.82 -52.23 43.22 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.514 0.509 . . . . 64.14 112.162 -174.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.33 -45.58 82.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 64.34 111.01 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 tp -70.63 -31.78 68.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 65.43 111.718 -174.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -75.62 -37.34 59.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.44 . . . . 72.32 111.366 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 p -90.85 -43.92 9.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 75.12 111.857 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -88.49 119.06 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 70.21 111.01 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' OXT' HD13 ' A' ' 48' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.44 -0.791 . . . . 72.35 110.451 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.064 0.459 . . . . 63.23 111.132 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.481 ' H ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m -137.32 144.47 42.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.006 -0.543 . . . . 75.14 109.862 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' H ' HD23 ' A' ' 3' ' ' LEU . 3.1 mm? -58.37 -34.87 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 74.21 111.151 -178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -90.6 106.75 18.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.651 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 69.09 -76.43 0.06 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.069 0.856 . . . . 74.34 112.672 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -80.04 50.42 1.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.116 0.784 . . . . 75.42 113.116 -167.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' HA3' ' H ' ' A' ' 2' ' ' SER . . . 156.53 29.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.314 -0.946 . . . . 74.24 113.399 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.4 tp -102.36 105.41 16.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.873 -0.418 . . . . 73.33 109.873 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -62.47 -46.75 87.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 55.12 111.884 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 20' ' ' LYS . . . -59.44 -33.53 76.76 Favored Glycine 0 CA--C 1.516 0.141 0 CA-C-N 116.019 -0.537 . . . . 71.54 113.502 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.44 5.0 50.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.7 0.286 . . . . 74.34 111.478 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -118.38 -57.26 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.705 -0.225 . . . . 72.5 111.278 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 57.72 26.65 13.3 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.558 0.537 . . . . 64.14 111.658 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' O ' HG21 ' A' ' 15' ' ' VAL . . . 63.24 71.0 0.52 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.777 -0.647 . . . . 70.33 111.632 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 14' ' ' ALA . 4.3 m 60.29 -35.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 126.163 1.785 . . . . 73.45 114.748 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 142.62 40.94 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.094 -0.574 . . . . 64.33 112.815 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.948 ' HA2' ' HE2' ' A' ' 20' ' ' LYS . . . -86.84 59.27 4.57 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.09 -0.576 . . . . 70.51 112.527 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 2.2 pt? -126.62 99.49 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.266 0.555 . . . . 71.33 110.661 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.87 -29.61 10.82 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.823 -0.703 . . . . 73.01 113.208 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.948 ' HE2' ' HA2' ' A' ' 17' ' ' GLY . 60.5 pttt -60.15 -39.5 86.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.894 0.378 . . . . 74.11 111.563 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.2 mt -113.87 19.46 16.59 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.355 -0.609 . . . . 75.45 109.355 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.71 -55.19 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.229 -0.896 . . . . 74.23 112.681 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -30.07 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 74.34 111.838 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.96 -6.94 41.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.196 0.522 . . . . 72.42 110.637 -172.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -12.03 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 72.32 111.608 -177.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.5 p -68.84 -22.85 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 70.14 110.635 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 31' ' ' SER . 32.7 mm-40 -64.52 -34.44 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.799 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.36 -14.87 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 71.44 110.66 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -92.69 -76.17 0.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 75.3 111.542 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -96.92 -23.82 16.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 72.52 112.493 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 21.6 t -69.94 -39.26 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 70.44 110.262 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.05 -28.1 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.343 -0.389 . . . . 74.4 110.388 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.5 -17.81 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.773 -0.649 . . . . 72.53 112.818 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HZ3' ' CG ' ' A' ' 39' ' ' ASP . 54.7 tttm -72.06 -28.42 63.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.272 0.558 . . . . 60.32 109.641 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 54.14 0.47 Allowed Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 111.097 -0.801 . . . . 74.03 111.097 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.56 63.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.803 0.335 . . . . 62.0 111.281 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 t -64.3 -23.0 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.325 0.583 . . . . 71.0 110.676 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -98.52 -48.98 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 74.34 110.196 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' HZ3' ' A' ' 34' ' ' LYS . 1.8 m-20 -56.01 -35.58 66.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.012 -0.54 . . . . 71.33 112.298 -176.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 41' ' ' LYS . 14.7 p -56.42 -33.4 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.689 0.28 . . . . 75.31 111.264 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG3' HG11 ' A' ' 40' ' ' VAL . 54.2 mtmt -100.63 -25.22 14.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.863 0.363 . . . . 72.34 110.694 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.94 -47.86 73.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 72.34 110.53 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.05 -35.02 69.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 65.44 110.392 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 47' ' ' VAL . 73.9 mt -65.75 -33.38 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.742 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.78 -28.41 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 62.22 110.765 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 m -84.98 10.74 11.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 60.5 111.019 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 44' ' ' LEU . 9.3 p -142.01 15.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.926 0.869 . . . . 73.01 109.35 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.253 -0.885 . . . . 74.3 110.064 -177.055 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.325 -0.31 . . . . 73.25 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.21 61.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.798 0.332 . . . . 54.329999999999998 111.157 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.91 -48.24 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.791 -0.641 . . . . 71.319999999999993 110.412 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -66.14 -36.42 83.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.963 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.0 t70 -60.15 -56.89 16.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.285 . . . . 62.229999999999997 110.564 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 8.2 p -67.46 -38.05 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.415 -0.357 . . . . 63.350000000000001 110.837 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -62.21 -45.92 91.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.453 -0.339 . . . . 62.439999999999998 111.062 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.82 -37.09 76.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.999 -0.546 . . . . 74.530000000000001 111.164 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.4 t -66.73 -36.55 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.002 0.43 . . . . 53.039999999999999 110.702 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 97.1 mt -73.24 -16.39 61.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 74.209999999999994 111.229 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.3 -52.72 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.117 0.484 . . . . 72.140000000000001 110.002 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.706 -0.679 . . . . 62.350000000000001 109.63 178.688 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 N-CA-C 112.401 -0.28 . . . . 54.109999999999999 112.401 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.02 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.691 0.246 . . . . 71.120000000000005 111.21 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.75 -21.68 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.133 -0.485 . . . . 60.119999999999997 111.418 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.07 -53.23 4.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.366 . . . . 74.439999999999998 110.465 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.1 t70 -54.43 -39.93 67.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 73.5 111.668 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.32 -27.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.34 0.496 . . . . 34.43 112.34 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -98.79 -37.58 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.731 -0.388 . . . . 72.109999999999999 110.778 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 85.8 m-20 -60.28 -26.3 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 54.039999999999999 112.54 -172.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' ASP . 87.3 t -58.98 -48.01 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 63.219999999999999 110.631 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.78 -29.62 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 65.310000000000002 111.028 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 37.0 t70 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 74.120000000000005 110.767 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 115.695 -0.684 . . . . 61.310000000000002 111.912 173.626 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 111.606 -0.597 . . . . 54.409999999999997 111.606 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.12 67.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.534 -0.333 . . . . 73.450000000000003 111.218 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.96 -27.37 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 51.119999999999997 110.474 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -86.15 -56.07 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.809 -0.632 . . . . 62.219999999999999 110.648 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.29 -44.87 28.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 63.240000000000002 112.448 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.62 -31.48 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 73.200000000000003 110.811 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.25 -35.39 80.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.426 -0.352 . . . . 73.420000000000002 110.829 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' SER . 22.4 t70 -62.16 -33.03 73.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.325 0.584 . . . . 44.210000000000001 110.012 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.37 -40.14 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.364 -0.835 . . . . 74.530000000000001 110.35 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.29 -48.78 75.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.64 . . . . 72.0 111.062 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -84.9 8.23 18.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 64.140000000000001 111.295 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 8.8 t . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 109.771 -0.455 . . . . 51.240000000000002 109.771 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.698 0 N-CA-C 111.765 -0.534 . . . . 54.329999999999998 111.765 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.74 67.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 65.129999999999995 111.337 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.35 -28.89 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 74.120000000000005 110.461 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -90.47 -59.82 2.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.227 0.537 . . . . 73.0 109.955 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.6 t70 -56.08 -52.26 64.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.986 -1.006 . . . . 74.230000000000004 112.676 -171.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.48 -40.15 77.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.556 -0.293 . . . . 73.430000000000007 111.725 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -75.55 -40.64 56.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.984 0.421 . . . . 75.209999999999994 110.352 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.16 -36.34 77.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.544 -0.753 . . . . 74.209999999999994 111.815 -174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 39' ' ' ASP . 72.9 t -55.71 -47.22 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 63.119999999999997 110.846 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.79 -39.22 66.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 62.020000000000003 110.462 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.9 -31.06 71.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.343 -0.844 . . . . 62.310000000000002 110.952 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 74.420000000000002 111.247 -178.106 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 111.945 -0.462 . . . . 55.219999999999999 111.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.23 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 70.150000000000006 111.553 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.26 -28.98 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 75.549999999999997 111.094 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -79.81 -51.0 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.618 -0.265 . . . . 72.439999999999998 111.139 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.09 -47.17 75.31 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.521 0.513 . . . . 72.109999999999999 111.89 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.19 -29.03 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 71.329999999999998 111.229 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HD3' HD21 ' A' ' 44' ' ' LEU . 32.7 mmtp -89.72 -6.14 56.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.648 0.261 . . . . 65.430000000000007 111.15 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.8 -38.9 80.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 61.420000000000002 110.714 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.05 -44.87 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.523 . . . . 64.540000000000006 111.38 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.1 pp -80.31 75.97 7.11 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 122.185 0.993 . . . . 54.119999999999997 111.296 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.47 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.463 -1.244 . . . . 61.200000000000003 108.453 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 108.423 -0.954 . . . . 74.439999999999998 108.423 171.235 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.235 -0.346 . . . . 73.439999999999998 112.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.73 66.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 75.349999999999994 110.864 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 -53.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.065 -0.516 . . . . 74.319999999999993 109.833 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -76.38 -70.98 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.284 -0.871 . . . . 75.209999999999994 112.204 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -39.4 80.34 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.289 0.635 . . . . 53.539999999999999 112.697 -168.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.86 -44.64 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.449 -0.342 . . . . 61.340000000000003 111.853 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.02 -31.41 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.89 -0.324 . . . . 75.200000000000003 111.545 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.65 -36.2 66.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 74.230000000000004 112.16 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.4 -36.83 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.614 0.245 . . . . 74.329999999999998 111.65 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.69 -21.99 15.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 63.020000000000003 111.363 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -80.88 -46.37 15.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.543 . . . . 72.540000000000006 109.805 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.517 -0.765 . . . . 75.310000000000002 109.395 177.401 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 112.436 -0.266 . . . . 44.310000000000002 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.8 -25.16 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.849 0.357 . . . . 64.329999999999998 110.941 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.28 -42.4 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.174 -0.466 . . . . 62.32 111.01 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -119.07 -66.55 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.689 -0.404 . . . . 71.140000000000001 111.783 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -54.42 -46.35 73.19 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.473 0.545 . . . . 74.5 112.473 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.37 -34.83 69.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.955 0.407 . . . . 74.510000000000005 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -13.74 60.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.323 -0.399 . . . . 71.530000000000001 111.074 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -81.8 -28.49 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.744 -0.465 . . . . 61.140000000000001 109.744 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.26 -23.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 62.450000000000003 110.502 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.73 -28.53 61.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.145 -0.479 . . . . 60.109999999999999 111.065 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.63 -25.81 68.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 74.349999999999994 111.064 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.404 -0.362 . . . . 73.239999999999995 111.549 -177.75 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.072 -0.411 . . . . 74.239999999999995 112.072 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . . . -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.843 0.312 . . . . 54.0 111.843 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 95.1 t -55.51 -43.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 123.145 0.278 . . . . 54.100000000000001 110.816 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -89.4 -16.29 31.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.982 -0.287 . . . . 75.310000000000002 110.938 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 17.1 t70 -73.21 -60.32 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 73.530000000000001 110.546 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 36' ' ' ALA . 13.8 p -66.76 -23.07 30.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.368 0.604 . . . . 71.540000000000006 110.338 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 1.4 tppp? -61.98 -38.18 87.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.762 . . . . 75.310000000000002 110.513 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.66 -33.5 47.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 75.109999999999999 110.3 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 39' ' ' ASP . 94.9 t -58.27 -41.99 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.4 -0.363 . . . . 61.039999999999999 111.04 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.82 -11.71 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.59 -0.277 . . . . 71.450000000000003 111.579 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.31 -47.3 5.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.362 -0.236 . . . . 72.299999999999997 110.362 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.463 0.209 0 C-N-CA 123.672 0.789 . . . . 51.109999999999999 112.602 174.217 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 111.883 -0.487 . . . . 32.229999999999997 111.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.148 0.425 . . . . 63.25 112.148 -175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.55 -45.47 98.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.715 0.293 . . . . 64.430000000000007 110.872 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.11 -38.11 81.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.075 -0.342 . . . . 73.129999999999995 110.075 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 43' ' ' VAL . 11.5 t70 -59.21 -59.78 4.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 61.119999999999997 110.964 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.95 -43.67 85.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 111.06 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 tmtm? -60.1 -46.12 90.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 53.409999999999997 110.659 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.04 -42.02 98.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 61.439999999999998 110.695 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.8 t -65.77 -42.88 93.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.715 -0.675 . . . . 73.340000000000003 111.342 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 4.6 pp -72.1 -23.09 61.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.675 -0.41 . . . . 62.520000000000003 111.881 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -91.25 -13.36 32.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.262 -0.575 . . . . 62.109999999999999 110.061 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.652 -0.704 . . . . 74.109999999999999 110.043 178.065 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 N-CA-C 112.603 -0.199 . . . . 44.100000000000001 112.603 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -24.19 50.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.687 0.254 . . . . 55.43 111.687 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 58.6 t -55.64 -34.55 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 64.209999999999994 111.197 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.35 -44.15 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 73.099999999999994 110.68 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.34 -42.56 99.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.908 -0.587 . . . . 70.019999999999996 111.688 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.53 -27.51 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.818 0.342 . . . . 73.540000000000006 110.559 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 50.6 tptt -59.32 -34.38 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 73.329999999999998 110.87 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.41 -25.63 64.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 73.430000000000007 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.27 -50.55 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.521 . . . . 54.240000000000002 111.253 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -82.04 -7.7 59.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.965 0.412 . . . . 53.240000000000002 110.44 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.01 -58.8 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.508 . . . . 64.010000000000005 109.915 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.447 -0.604 0 CA-C-N 115.915 -0.584 . . . . 55.509999999999998 109.784 177.35 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 110.847 -0.901 . . . . 63.229999999999997 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.3 2.39 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.207 0.447 . . . . 64.409999999999997 112.207 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.44 -32.55 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.021 0.438 . . . . 64.439999999999998 111.121 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -75.37 -68.15 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 62.219999999999999 111.051 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 75.120000000000005 112.253 -170.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.0 t -57.0 -46.43 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.481 0.181 . . . . 65.120000000000005 111.355 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -75.34 -26.31 58.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.913 0.387 . . . . 71.310000000000002 110.763 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -76.6 -38.01 55.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.043 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' ASP . 99.4 t -66.79 -38.49 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 44.32 111.39 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 pp -97.01 23.08 7.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.721 0.296 . . . . 71.409999999999997 111.335 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.91 -48.86 62.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 64.530000000000001 111.113 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.553 0.692 . . . . 74.25 110.961 -177.24 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 112.537 -0.225 . . . . 71.219999999999999 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.24 -55.88 14.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.694 0.283 . . . . 44.420000000000002 110.599 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.5 -35.11 57.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.329 0.585 . . . . 71.319999999999993 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.93 -45.06 83.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.44 -0.8 . . . . 72.549999999999997 110.607 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 41' ' ' LYS . 30.2 t70 -63.83 -39.47 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.230000000000004 111.506 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 36' ' ' ALA . 14.3 t -75.99 26.88 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.877 0.846 . . . . 63.439999999999998 110.611 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 58.0 tttm -150.19 -42.01 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.807 -0.812 . . . . 73.420000000000002 108.807 172.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.75 -47.24 64.17 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.342 -0.845 . . . . 72.200000000000003 111.395 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -91.63 -10.84 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.39 0.614 . . . . 71.140000000000001 110.395 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . 55.7 tp -83.07 -39.61 20.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.505 . . . . 71.439999999999998 111.406 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 63.9 m-20 -72.0 -17.13 62.07 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.938 0.399 . . . . 72.349999999999994 110.537 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.449 -0.507 0 CA-C-N 115.807 -0.633 . . . . 73.5 110.928 -178.221 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 111.505 -0.638 . . . . 51.509999999999998 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -19.02 57.58 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.901 0.334 . . . . 63.420000000000002 111.901 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.34 -35.09 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.32 -0.4 . . . . 62.399999999999999 110.701 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -91.18 -43.81 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 75.120000000000005 109.68 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.8 t70 -65.7 -50.06 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.93 -1.032 . . . . 74.409999999999997 112.411 -169.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 88.8 t -62.33 -36.04 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 64.0 111.214 -175.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.36 -23.53 66.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.802 0.334 . . . . 45.329999999999998 110.824 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 -40.63 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.034 0.445 . . . . 75.510000000000005 109.975 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 39' ' ' ASP . 48.1 t -63.9 -41.78 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.562 -0.744 . . . . 65.340000000000003 111.232 -178.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 pp -79.63 2.43 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.034 0.445 . . . . 61.219999999999999 111.288 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -108.7 13.15 25.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.742 0.782 . . . . 74.150000000000006 109.966 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.312 -179.548 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 CA-C-O 119.631 -0.538 . . . . 53.329999999999998 114.292 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -60.72 2.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.008 0.404 . . . . 52.210000000000001 111.843 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 t -94.76 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.307 0.575 . . . . 64.430000000000007 110.159 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 33.4 t-80 -168.89 -53.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.685 -0.689 . . . . 74.5 110.293 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.6 t70 -74.44 -55.66 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.475 -0.329 . . . . 74.25 110.218 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 t -56.58 -29.73 30.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 70.140000000000001 110.356 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' HIS . 7.3 tmtm? -54.28 -48.37 71.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.526 -0.761 . . . . 74.129999999999995 110.701 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.08 -31.36 50.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 61.229999999999997 110.655 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' ASP . 60.6 t -63.31 -39.1 84.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.113 -0.494 . . . . 61.520000000000003 110.359 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.5 tp -68.32 -37.19 80.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.751 -0.658 . . . . 61.450000000000003 110.622 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -65.24 -57.0 9.59 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.987 0.422 . . . . 73.450000000000003 109.938 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.029 -0.987 . . . . 71.040000000000006 111.149 -179.773 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 120.106 -0.275 . . . . 61.399999999999999 113.678 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -45.18 -51.85 10.07 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.644 0.609 . . . . 55.219999999999999 112.644 -175.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.61 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.046 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -63.41 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 75.219999999999999 110.303 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.25 -43.36 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 65.530000000000001 111.569 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 36' ' ' ALA . 93.8 t -58.82 -42.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 72.540000000000006 110.498 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.721 ' HD2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -70.39 -40.62 73.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 72.329999999999998 109.695 178.295 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.24 -44.39 95.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.699 -0.682 . . . . 74.019999999999996 112.184 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.18 -46.07 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.689 0.28 . . . . 72.430000000000007 111.449 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.8 tp -70.66 -64.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 60.530000000000001 110.874 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.721 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . 29.2 t70 -83.11 82.05 8.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.703 0.763 . . . . 73.409999999999997 109.945 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.412 -1.267 . . . . 70.340000000000003 109.275 -179.793 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.301 -0.166 . . . . 73.549999999999997 112.781 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.15 -44.42 61.42 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.411 0.523 . . . . 70.010000000000005 112.411 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -25.25 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.635 -0.257 . . . . 64.420000000000002 111.68 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -71.83 -40.42 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 74.25 110.408 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.4 -42.56 35.82 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.07 -0.513 . . . . 71.25 110.391 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 36' ' ' ALA . 75.7 t -58.57 -40.92 80.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 55.310000000000002 110.729 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -52.32 -51.31 59.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.333 -0.394 . . . . 73.129999999999995 110.707 179.395 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.22 -49.78 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.848 -0.615 . . . . 73.530000000000001 111.761 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.13 -45.99 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.378 -0.374 . . . . 73.420000000000002 111.468 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.97 -32.36 74.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 71.299999999999997 111.053 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -78.33 -26.89 46.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 73.25 110.694 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.315 -0.402 . . . . 71.109999999999999 110.395 -178.015 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 112.346 -0.302 . . . . 35.520000000000003 112.346 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.39 -0.7 26.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.703 0.287 . . . . 74.120000000000005 111.54 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.69 -22.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 75.5 111.045 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.3 -40.69 43.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.908 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.0 -30.92 65.72 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.593 0.59 . . . . 75.510000000000005 112.593 -173.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.94 -43.75 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.758 -0.377 . . . . 72.140000000000001 110.572 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -70.3 -42.61 71.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 74.129999999999995 110.425 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.59 -46.82 88.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.656 -0.702 . . . . 72.420000000000002 111.434 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.18 -50.41 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 75.400000000000006 111.675 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 45' ' ' ASP . 4.4 pp -64.56 -25.63 68.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.815 0.341 . . . . 75.450000000000003 111.443 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 -20.16 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.354 -0.385 . . . . 75.329999999999998 110.641 -178.747 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 71.109999999999999 111.289 -178.064 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 111.836 -0.506 . . . . 73.400000000000006 111.836 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.53 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.744 0.307 . . . . 74.109999999999999 110.292 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.95 -43.85 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 61.210000000000001 110.983 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -71.86 -67.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 75.329999999999998 111.763 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -34.11 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 73.340000000000003 112.906 -166.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.49 -40.64 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 74.209999999999994 110.009 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -95.66 33.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.634 0.73 . . . . 62.210000000000001 109.547 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.54 -58.15 1.34 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.381 -0.827 . . . . 65.129999999999995 109.886 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.33 -61.76 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.533 -0.758 . . . . 72.439999999999998 111.35 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 15.31 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.38 0.61 . . . . 74.409999999999997 110.969 -178.574 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.75 -11.14 20.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.016 -0.735 . . . . 73.430000000000007 109.016 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.614 -1.176 . . . . 74.510000000000005 111.444 177.131 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.336 -0.146 . . . . 71.319999999999993 113.242 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.34 79.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.239 0.542 . . . . 74.230000000000004 109.618 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.43 -27.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.71 -0.677 . . . . 62.420000000000002 110.013 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 25.7 t60 -61.93 -39.59 92.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.58 -0.736 . . . . 72.219999999999999 110.349 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.25 -42.12 60.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 74.209999999999994 110.844 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.66 -33.45 63.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.017 -0.538 . . . . 61.219999999999999 110.699 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -54.97 -42.27 72.17 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.709 -0.678 . . . . 73.109999999999999 111.033 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.82 -52.23 43.22 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.514 0.509 . . . . 64.140000000000001 112.162 -174.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.33 -45.58 82.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 64.340000000000003 111.01 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 tp -70.63 -31.78 68.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 65.430000000000007 111.718 -174.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -75.62 -37.34 59.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.44 . . . . 72.319999999999993 111.366 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 75.120000000000005 111.857 -174.802 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.942 0 N-CA-C 111.097 -0.801 . . . . 74.030000000000001 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.56 63.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.803 0.335 . . . . 22.41 111.281 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 t -64.3 -23.0 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.325 0.583 . . . . 71.0 110.676 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -98.52 -48.98 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 74.340000000000003 110.196 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.01 -35.58 66.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.012 -0.54 . . . . 53.0 112.298 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 41' ' ' LYS . 14.7 p -56.42 -33.4 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.689 0.28 . . . . 70.329999999999998 111.264 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG3' HG13 ' A' ' 40' ' ' VAL . 54.2 mtmt -100.63 -25.22 14.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.863 0.363 . . . . 65.200000000000003 110.694 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.94 -47.86 73.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 64.129999999999995 110.53 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.05 -35.02 69.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 65.439999999999998 110.392 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.75 -33.38 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 61.539999999999999 110.742 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.78 -28.41 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 62.219999999999999 110.765 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 60.140000000000001 111.019 179.378 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 121.162 0.506 . . . . 45.509999999999998 110.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -129.97 94.09 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.211 -0.45 . . . . 33.329999999999998 110.039 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.59 -46.27 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 71.430000000000007 111.441 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -127.83 -171.26 2.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.312 -0.255 . . . . 52.32 110.312 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 5.6 pt-20 -52.57 -43.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 73.420000000000002 111.215 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HG3' ' HG3' ' A' ' 5' ' ' GLU . 61.2 mttp -84.93 11.91 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 62.009999999999998 110.847 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.29 62.37 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.288 -0.725 . . . . 64.040000000000006 111.288 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -87.48 146.96 25.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.097 -0.334 . . . . 53.240000000000002 110.097 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -83.75 -34.34 24.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.178 -0.465 . . . . 72.049999999999997 110.993 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.85 -3.27 63.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.055 -0.593 . . . . 55.030000000000001 112.424 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.11 67.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 52.539999999999999 111.316 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -2.17 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.959 0.409 . . . . 71.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -117.97 -45.77 2.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 111.437 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.1 -54.06 5.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.143 0.794 . . . . 75.120000000000005 113.143 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.91 -1.0 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.99 0.424 . . . . 73.209999999999994 111.811 -170.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.576 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -128.67 53.11 0.81 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.426 -0.893 . . . . 70.200000000000003 112.334 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.7 -46.3 84.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.306 -0.473 . . . . 73.430000000000007 113.272 -177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -69.75 -26.57 64.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.027 0.441 . . . . 72.230000000000004 110.92 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.61 0.38 65.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.821 -0.704 . . . . 74.150000000000006 112.21 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -86.75 56.83 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.4 0.619 . . . . 75.109999999999999 110.181 -176.472 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -138.78 74.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.546 -0.752 . . . . 70.310000000000002 109.359 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.66 -30.93 3.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.86 -0.686 . . . . 71.439999999999998 111.973 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 17.6 ptmt -79.24 -21.29 46.39 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.591 -0.522 . . . . 74.219999999999999 109.591 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -71.01 106.62 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.245 -0.889 . . . . 62.340000000000003 110.064 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.84 -50.47 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.329 -0.85 . . . . 55.439999999999998 110.517 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.0 -36.36 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 40.240000000000002 109.223 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 22.5 mp0 -57.91 -42.05 83.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.735 -1.121 . . . . 72.230000000000004 110.181 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.21 -52.35 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 75.530000000000001 111.494 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD12 ' HG2' ' A' ' 30' ' ' GLU . 2.8 pp -81.25 -26.47 35.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.381 0.512 . . . . 73.319999999999993 112.381 -174.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HG2' HD12 ' A' ' 29' ' ' LEU . 20.3 mm-40 -79.62 -28.43 40.95 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 74.549999999999997 111.074 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -63.05 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.998 -0.371 . . . . 73.25 109.998 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.684 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 48.1 t -62.53 -49.28 84.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.147 -0.479 . . . . 65.129999999999995 110.561 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.0 85.23 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.109 -0.567 . . . . 55.219999999999999 112.46 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -87.02 14.12 8.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.226 . . . . 55.32 111.065 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.53 81.27 1.42 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.855 -0.688 . . . . 73.25 112.325 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.684 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . . . -58.71 -24.21 61.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.798 0.332 . . . . 54.329999999999998 111.157 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.91 -48.24 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.791 -0.641 . . . . 71.319999999999993 110.412 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -66.14 -36.42 83.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.963 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.0 t70 -60.15 -56.89 16.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.285 . . . . 62.229999999999997 110.564 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 8.2 p -67.46 -38.05 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.415 -0.357 . . . . 63.350000000000001 110.837 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -62.21 -45.92 91.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.453 -0.339 . . . . 62.439999999999998 111.062 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.82 -37.09 76.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.999 -0.546 . . . . 74.530000000000001 111.164 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.4 t -66.73 -36.55 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.002 0.43 . . . . 53.039999999999999 110.702 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 97.1 mt -73.24 -16.39 61.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 74.209999999999994 111.229 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.3 -52.72 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.117 0.484 . . . . 72.140000000000001 110.002 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.0 t -92.36 77.59 5.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.706 -0.679 . . . . 62.350000000000001 109.63 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.3 134.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 71.340000000000003 110.423 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.522 -0.752 . . . . 45.549999999999997 109.876 176.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.783 0.325 . . . . 74.430000000000007 110.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -169.84 -162.89 0.34 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.208 -0.664 . . . . 70.129999999999995 109.208 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' O ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 pp -102.07 11.69 38.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 72.010000000000005 110.334 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 tt -92.64 -58.04 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 52.109999999999999 110.378 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.749 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -80.95 -35.76 31.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.006 -173.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.749 ' HG3' ' HG2' ' A' ' 5' ' ' GLU . 55.1 mtpt -110.91 -10.37 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 70.510000000000005 110.842 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -79.71 -55.45 3.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.367 -0.921 . . . . 52.420000000000002 111.854 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 8' ' ' LEU . 4.0 mm? -83.51 110.35 18.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.914 0.388 . . . . 74.209999999999994 110.619 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.9 -12.72 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.27 0.557 . . . . 75.329999999999998 109.899 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.82 -24.38 57.53 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.547 -0.751 . . . . 62.549999999999997 112.283 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.05 -24.14 65.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 52.310000000000002 110.691 176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -91.01 -39.74 12.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 41.240000000000002 109.364 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -65.89 -20.96 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.53 -0.759 . . . . 73.019999999999996 110.734 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.88 67.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 53.200000000000003 110.843 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.79 -52.97 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.052 -0.522 . . . . 72.219999999999999 109.66 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.66 38.88 2.13 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.817 -0.629 . . . . 62.310000000000002 112.601 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.78 -47.53 0.36 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.082 -0.58 . . . . 61.43 111.748 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.7 pt? -101.5 -5.84 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.871 0.367 . . . . 75.5 110.287 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 23' ' ' LYS . . . -64.73 -51.67 49.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.096 -0.573 . . . . 34.329999999999998 112.23 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' O ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.19 120.89 10.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.052 0.453 . . . . 74.439999999999998 111.03 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.561 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . 93.9 mt 72.97 -29.47 0.2 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.474 -0.785 . . . . 70.209999999999994 111.849 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' LYS . . . -66.54 -43.63 91.84 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.324 -0.465 . . . . 40.310000000000002 112.382 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -94.32 -15.21 24.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.953 0.406 . . . . 52.240000000000002 110.493 177.604 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.561 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 30.2 m-20 -72.21 -1.02 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 71.049999999999997 111.832 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.21 70.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.931 0.396 . . . . 40.229999999999997 110.554 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG22 ' HG2' ' A' ' 30' ' ' GLU . 8.9 p -81.58 -17.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 74.549999999999997 110.517 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 24' ' ' ASP . 5.0 mm-40 -68.23 -11.41 59.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.804 -0.634 . . . . 72.340000000000003 110.603 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.18 -27.59 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.633 -0.712 . . . . 74.519999999999996 110.653 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 tp -102.62 -39.47 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 35.130000000000003 110.985 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HG2' HG22 ' A' ' 26' ' ' VAL . 68.7 mm-40 -79.33 9.92 4.22 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 73.400000000000006 111.913 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -69.84 -31.47 69.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.059 0.457 . . . . 72.019999999999996 110.278 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.09 -10.03 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 31.440000000000001 111.022 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.78 77.26 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.668 -0.777 . . . . 72.219999999999999 111.536 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.97 -66.73 0.88 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 64.400000000000006 110.136 -175.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.77 -26.55 5.52 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.831 -0.7 . . . . 54.109999999999999 112.401 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.02 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.691 0.246 . . . . 71.120000000000005 111.21 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.75 -21.68 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.133 -0.485 . . . . 60.119999999999997 111.418 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.07 -53.23 4.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.366 . . . . 74.439999999999998 110.465 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.1 t70 -54.43 -39.93 67.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 73.5 111.668 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.32 -27.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.34 0.496 . . . . 34.43 112.34 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -98.79 -37.58 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.731 -0.388 . . . . 72.109999999999999 110.778 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 85.8 m-20 -60.28 -26.3 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 54.039999999999999 112.54 -172.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' ASP . 87.3 t -58.98 -48.01 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 63.219999999999999 110.631 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.78 -29.62 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 65.310000000000002 111.028 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 37.0 t70 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 74.120000000000005 110.767 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t 67.35 24.26 9.01 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.695 -0.684 . . . . 61.310000000000002 111.912 173.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.66 122.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.49 0.662 . . . . 61.119999999999997 110.467 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD12 ' OXT' ' A' ' 48' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.408 -0.806 . . . . 64.239999999999995 109.746 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.042 -0.355 . . . . 74.450000000000003 110.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 t -95.01 118.72 32.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.013 0.435 . . . . 51.030000000000001 110.311 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 HD22 ' A' ' 4' ' ' LEU . 4.5 pp -86.74 -3.94 59.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.164 0.507 . . . . 75.420000000000002 109.801 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD22 HD12 ' A' ' 3' ' ' LEU . 3.9 mm? -76.65 -61.52 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 75.530000000000001 110.612 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.769 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 10.5 pt-20 -73.05 -39.76 65.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 74.530000000000001 111.871 -175.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.769 ' HG3' ' HG3' ' A' ' 5' ' ' GLU . 66.1 mttm -96.78 -20.5 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.731 0.3 . . . . 71.329999999999998 111.653 -173.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.8 -76.23 1.23 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.454 -0.879 . . . . 75.319999999999993 112.134 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 1.6 tm? -62.96 -59.31 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.542 0.21 . . . . 74.329999999999998 111.04 -175.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.95 -41.55 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.433 -0.348 . . . . 74.129999999999995 110.843 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -37.42 94.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.152 -0.547 . . . . 72.439999999999998 112.088 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.41 -23.31 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.716 0.293 . . . . 61.43 111.163 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 29.5 mmmt -85.19 -16.96 38.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 74.310000000000002 110.172 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 40.76 37.79 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.249 1.02 . . . . 73.030000000000001 112.49 -176.575 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.42 -46.46 55.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 74.230000000000004 110.325 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.83 -18.23 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 70.400000000000006 110.453 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.9 46.03 2.69 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.032 -0.604 . . . . 54.219999999999999 112.464 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.68 20.68 49.69 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 70.129999999999995 111.956 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 20' ' ' LYS . 1.4 pp -154.28 -162.65 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.621 . . . . 71.530000000000001 109.322 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.97 80.64 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.897 -0.668 . . . . 64.219999999999999 111.811 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.825 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -127.16 164.98 20.44 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.569 -0.53 . . . . 73.409999999999997 109.569 -175.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.0 28.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 64.349999999999994 111.87 -171.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -109.8 -1.03 30.49 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.508 -1.037 . . . . 45.310000000000002 110.508 171.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 16.3 mmmt -106.24 -24.59 12.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.126 -0.537 . . . . 54.329999999999998 111.536 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' HA ' ' CG ' ' A' ' 27' ' ' GLU . 10.9 p-10 -72.39 9.25 1.08 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.746 0.647 . . . . 73.099999999999994 112.746 -169.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -107.42 -13.58 15.06 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 122.197 -0.314 . . . . 75.140000000000001 111.128 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.02 -10.64 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.837 0.351 . . . . 71.239999999999995 111.654 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -67.31 -8.77 34.84 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.314 0.487 . . . . 63.140000000000001 112.314 -176.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.28 -25.94 60.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 71.120000000000005 110.829 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.73 -44.74 6.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 74.230000000000004 111.263 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 15.5 pt-20 -76.3 -18.56 58.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.025 0.38 . . . . 73.129999999999995 112.025 -173.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 p -65.95 -35.24 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.669 -0.493 . . . . 74.540000000000006 109.669 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.25 -31.98 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.341 -0.845 . . . . 52.420000000000002 110.155 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.11 21.19 5.11 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.992 -0.549 . . . . 55.130000000000003 111.953 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 1.2 tppp? 65.75 19.54 11.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.645 0.778 . . . . 75.340000000000003 111.133 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.88 -9.71 79.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 54.409999999999997 111.606 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.12 67.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.534 -0.333 . . . . 73.450000000000003 111.218 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.96 -27.37 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 51.119999999999997 110.474 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -86.15 -56.07 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.809 -0.632 . . . . 62.219999999999999 110.648 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.29 -44.87 28.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 63.240000000000002 112.448 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.62 -31.48 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 73.200000000000003 110.811 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.25 -35.39 80.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.426 -0.352 . . . . 73.420000000000002 110.829 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' SER . 22.4 t70 -62.16 -33.03 73.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.325 0.584 . . . . 44.210000000000001 110.012 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.37 -40.14 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.364 -0.835 . . . . 74.530000000000001 110.35 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.29 -48.78 75.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.64 . . . . 72.0 111.062 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -84.9 8.23 18.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 64.140000000000001 111.295 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 8.8 t -99.18 -29.2 12.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.771 -0.455 . . . . 51.240000000000002 109.771 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -78.81 104.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 55.420000000000002 110.297 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--O 1.249 1.035 0 N-CA-C 108.646 -0.872 . . . . 71.209999999999994 108.646 179.54 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.98 0.419 . . . . 74.140000000000001 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -99.19 151.96 20.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.712 -0.477 . . . . 34.210000000000001 109.712 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 81.7 mt -92.61 -42.45 9.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.746 0.308 . . . . 71.299999999999997 110.948 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 22.6 tp -176.3 -178.03 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.604 -0.888 . . . . 53.530000000000001 108.604 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.643 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 9.4 pt-20 -63.31 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.329 0.585 . . . . 71.540000000000006 110.008 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 14.6 tmtt? -79.11 -29.39 43.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.149 -0.685 . . . . 75.400000000000006 109.149 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 3' ' ' LEU . . . -93.78 41.11 2.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.618 -0.719 . . . . 72.030000000000001 111.629 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -97.49 35.39 1.65 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.549 0.69 . . . . 73.209999999999994 109.418 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' HB2' ' HA2' ' A' ' 16' ' ' GLY . 11.3 t70 -49.3 -56.5 9.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.538 -1.21 . . . . 62.240000000000002 111.629 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.06 -76.83 0.26 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.615 -0.803 . . . . 43.200000000000003 112.098 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.12 22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.144 0.424 . . . . 73.319999999999993 112.144 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -22.11 11.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.006 -0.678 . . . . 72.439999999999998 110.731 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptm 61.54 37.55 16.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.588 0.709 . . . . 61.409999999999997 110.375 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.91 42.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.492 -0.776 . . . . 72.200000000000003 110.391 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 15' ' ' VAL . 15.4 t 64.29 15.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.814 0.816 . . . . 54.200000000000003 110.171 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' A' ' 9' ' ' ASP . . . 80.5 78.7 0.91 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.025 -0.83 . . . . 72.030000000000001 111.025 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.72 -22.24 59.32 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 114.031 0.373 . . . . 71.030000000000001 114.031 -173.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.88 -1.01 37.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 72.340000000000003 111.124 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.55 ' HA3' ' HG2' ' A' ' 6' ' ' LYS . . . -134.88 -47.35 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.804 -0.712 . . . . 61.409999999999997 112.172 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HE3' ' HB3' ' A' ' 20' ' ' LYS . 29.4 mtpp 52.02 -83.62 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.624 0.972 . . . . 71.010000000000005 113.624 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 22' ' ' GLY . 4.3 pp -46.11 -33.41 3.5 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.56 0.948 . . . . 54.100000000000001 113.56 -168.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -79.81 39.53 2.2 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.837 -0.697 . . . . 71.109999999999999 112.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? 173.16 -41.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.493 0.717 . . . . 71.129999999999995 109.122 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.81 -46.7 84.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.981 -0.554 . . . . 71.530000000000001 110.966 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -31.55 72.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 75.430000000000007 110.916 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.44 -40.19 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 72.319999999999993 109.93 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -58.36 -42.4 86.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.906 -0.588 . . . . 74.319999999999993 109.825 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.72 -42.62 84.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.662 -0.699 . . . . 64.25 110.519 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 tp -71.2 -40.01 71.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 75.209999999999994 110.519 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.46 -0.72 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.321 -0.399 . . . . 62.340000000000003 111.178 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.8 m -79.62 -48.63 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.989 -0.375 . . . . 72.200000000000003 109.989 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.31 -22.96 18.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.842 0.353 . . . . 73.340000000000003 110.771 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.25 -10.0 61.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 43.240000000000002 111.557 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 60.31 21.3 10.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.167 0.587 . . . . 75.439999999999998 111.844 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.24 -27.11 62.47 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.131 -0.557 . . . . 54.329999999999998 111.765 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.74 67.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 65.129999999999995 111.337 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.35 -28.89 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 74.120000000000005 110.461 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -90.47 -59.82 2.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.227 0.537 . . . . 73.0 109.955 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.6 t70 -56.08 -52.26 64.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.986 -1.006 . . . . 74.230000000000004 112.676 -171.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.48 -40.15 77.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.556 -0.293 . . . . 73.430000000000007 111.725 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -75.55 -40.64 56.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.984 0.421 . . . . 75.209999999999994 110.352 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.16 -36.34 77.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.544 -0.753 . . . . 74.209999999999994 111.815 -174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 39' ' ' ASP . 72.9 t -55.71 -47.22 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 63.119999999999997 110.846 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . 94.8 mt -72.79 -39.22 66.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 62.020000000000003 110.462 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.9 -31.06 71.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.343 -0.844 . . . . 62.310000000000002 110.952 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.29 -39.59 20.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 74.420000000000002 111.247 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.72 HG13 ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -78.58 -27.12 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 112.067 0.395 . . . . 70.109999999999999 112.067 -174.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.72 ' HG ' HG13 ' A' ' 47' ' ' VAL . 92.6 mt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.8 -0.619 . . . . 64.519999999999996 110.645 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.239 -0.282 . . . . 65.349999999999994 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -69.52 104.5 2.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.25 0.547 . . . . 72.329999999999998 110.721 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.45 155.88 39.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.189 -0.914 . . . . 71.129999999999995 109.489 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 4' ' ' LEU . 3.3 mm? -53.36 -49.92 66.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.225 -0.443 . . . . 73.019999999999996 111.595 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.41 -63.04 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.632 -0.258 . . . . 73.439999999999998 111.628 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -68.01 -33.25 74.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.122 0.416 . . . . 74.510000000000005 112.122 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.99 -37.48 22.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.725 -0.75 . . . . 64.400000000000006 113.5 -174.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -97.16 -49.16 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.984 0.392 . . . . 75.299999999999997 110.888 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 21.5 t70 -89.33 -53.95 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.831 -0.348 . . . . 64.420000000000002 111.356 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.67 -29.16 69.25 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.293 -0.412 . . . . 62.109999999999999 113.43 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -8.83 54.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 72.319999999999993 111.593 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 34.0 mtmm -84.22 4.59 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.789 0.292 . . . . 65.400000000000006 111.789 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -53.86 -50.31 66.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.056 0.455 . . . . 72.510000000000005 111.137 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 -14.03 50.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.926 -0.579 . . . . 63.119999999999997 111.06 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.2 t -83.71 -56.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.155 -0.475 . . . . 73.400000000000006 110.767 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.69 50.88 0.86 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 30.129999999999999 111.999 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' HA2' ' HB3' ' A' ' 23' ' ' LYS . . . -114.59 -57.93 0.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.771 -0.728 . . . . 64.430000000000007 112.377 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.5 pt? -60.84 -26.72 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.939 0.348 . . . . 61.350000000000001 111.939 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 26.45 16.68 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 55.450000000000003 112.352 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -144.32 112.72 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.058 -0.349 . . . . 74.319999999999993 110.058 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.93 -41.62 92.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.48 -0.327 . . . . 73.510000000000005 111.454 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.76 -4.48 33.43 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.16 -0.543 . . . . 63.140000000000001 113.096 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.612 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -112.35 -48.63 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.895 0.379 . . . . 71.239999999999995 110.192 178.44 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.22 -37.89 81.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.87 -0.605 . . . . 64.109999999999999 111.653 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.42 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.425 0.528 . . . . 54.420000000000002 112.425 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 23' ' ' LYS . 8.4 p -77.62 -26.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.501 -0.48 . . . . 71.430000000000007 110.649 -176.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 37.1 mt-10 -75.45 -14.29 60.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.346 -0.388 . . . . 72.319999999999993 110.892 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.56 -40.56 83.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 65.030000000000001 110.914 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.89 -44.67 63.35 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.865 -0.607 . . . . 40.439999999999998 111.493 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 9.6 pt-20 -72.56 -32.0 65.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.493 -0.321 . . . . 71.450000000000003 111.529 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -69.88 -48.15 59.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.542 0.21 . . . . 63.340000000000003 111.305 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.19 -22.46 31.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 62.119999999999997 111.329 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.86 12.56 56.26 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.64 -0.79 . . . . 71.540000000000006 112.825 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 64.97 8.19 4.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.035 0.534 . . . . 73.239999999999995 112.102 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.22 -28.12 60.72 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.902 -0.666 . . . . 55.219999999999999 111.945 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.23 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 70.150000000000006 111.553 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.26 -28.98 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 75.549999999999997 111.094 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -79.81 -51.0 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.618 -0.265 . . . . 72.439999999999998 111.139 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.09 -47.17 75.31 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.521 0.513 . . . . 72.109999999999999 111.89 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.19 -29.03 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 71.329999999999998 111.229 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HD3' HD21 ' A' ' 44' ' ' LEU . 32.7 mmtp -89.72 -6.14 56.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.648 0.261 . . . . 65.430000000000007 111.15 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.8 -38.9 80.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 61.420000000000002 110.714 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.05 -44.87 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.523 . . . . 64.540000000000006 111.38 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.1 pp -80.31 75.97 7.11 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 122.185 0.993 . . . . 54.119999999999997 111.296 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.47 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.463 -1.244 . . . . 61.200000000000003 108.453 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t -84.77 -46.5 11.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.423 -0.954 . . . . 74.439999999999998 108.423 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.9 t -99.19 94.33 3.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 72.120000000000005 109.415 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.507 -0.759 . . . . 63.130000000000003 110.329 -176.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.056 -0.35 . . . . 73.540000000000006 110.056 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.644 ' HA ' HD13 ' A' ' 8' ' ' LEU . 22.9 t -178.82 126.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.319999999999993 110.583 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.96 -38.92 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.78 -0.822 . . . . 54.149999999999999 108.78 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' HG ' ' OE1' ' A' ' 5' ' ' GLU . 17.3 tp -168.45 167.36 11.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.643 -1.243 . . . . 73.450000000000003 107.643 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' OE1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.71 -52.06 51.32 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.376 0.51 . . . . 73.439999999999998 112.376 -173.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -110.73 1.56 17.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 74.219999999999999 110.099 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' HA3' ' HB3' ' A' ' 4' ' ' LEU . . . -74.26 -30.93 59.98 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.661 -0.7 . . . . 43.450000000000003 111.693 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 2' ' ' SER . 51.0 tp -62.24 -47.11 85.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 75.049999999999997 110.365 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.68 -25.07 58.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.359 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.56 -33.29 81.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.913 -0.66 . . . . 72.329999999999998 112.031 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.34 68.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 72.549999999999997 110.805 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -26.15 56.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.399 . . . . 63.32 110.263 177.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -76.92 -14.25 59.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 55.219999999999999 111.417 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.12 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.546 0.688 . . . . 63.310000000000002 109.814 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -126.83 60.36 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.011 -0.995 . . . . 73.310000000000002 109.149 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.6 19.98 1.84 Allowed Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.244 -0.889 . . . . 60.399999999999999 114.488 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.31 -67.73 1.85 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.729 -0.748 . . . . 73.319999999999993 111.651 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 51.6 -97.21 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.266 0.626 . . . . 55.039999999999999 111.645 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.05 12.75 11.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.776 -0.726 . . . . 75.439999999999998 112.551 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.93 41.59 0.44 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.882 0.372 . . . . 74.129999999999995 110.831 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.39 -18.65 64.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 111.235 -176.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.02 -26.87 69.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.064 -0.588 . . . . 63.200000000000003 112.325 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.695 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -118.45 -33.43 4.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.643 0.258 . . . . 73.510000000000005 111.055 176.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.695 ' N ' ' HD3' ' A' ' 23' ' ' LYS . 22.3 t70 -64.12 -38.52 91.37 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.01 0.433 . . . . 61.43 111.206 -174.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -29.19 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 72.129999999999995 110.665 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.76 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 54.549999999999997 110.628 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -55.77 -57.15 13.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.012 0.434 . . . . 75.5 110.459 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -44.75 96.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 74.400000000000006 112.302 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 30' ' ' GLU . 4.7 pp -64.9 -31.06 72.11 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.923 0.342 . . . . 51.340000000000003 111.923 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.22 -22.66 23.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.367 -0.533 . . . . 73.329999999999998 110.503 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 66.9 m -74.22 -15.1 61.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.868 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.86 -40.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.183 0.515 . . . . 63.009999999999998 109.951 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.67 0.07 88.62 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.757 -0.656 . . . . 51.310000000000002 112.438 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -80.34 -16.06 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.103 0.478 . . . . 74.519999999999996 109.8 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.21 -24.71 67.55 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.657 -0.702 . . . . 73.439999999999998 112.235 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.73 66.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 75.349999999999994 110.864 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 -53.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.065 -0.516 . . . . 74.319999999999993 109.833 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -76.38 -70.98 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.284 -0.871 . . . . 75.209999999999994 112.204 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -39.4 80.34 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.289 0.635 . . . . 53.539999999999999 112.697 -168.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.86 -44.64 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.449 -0.342 . . . . 61.340000000000003 111.853 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.02 -31.41 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.89 -0.324 . . . . 75.200000000000003 111.545 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.65 -36.2 66.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 74.230000000000004 112.16 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.4 -36.83 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.614 0.245 . . . . 74.329999999999998 111.65 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.69 -21.99 15.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 63.020000000000003 111.363 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -80.88 -46.37 15.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.543 . . . . 72.540000000000006 109.805 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -99.82 50.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.517 -0.765 . . . . 75.310000000000002 109.395 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.41 137.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 75.439999999999998 111.18 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD12 ' OXT' ' A' ' 48' ' ' LEU . 2.7 pp . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.294 -0.86 . . . . 63.439999999999998 110.351 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.877 0.37 . . . . 65.099999999999994 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -96.88 113.96 25.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.155 0.503 . . . . 73.200000000000003 111.712 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.9 mt -90.4 76.91 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.527 -0.546 . . . . 71.129999999999995 109.527 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.9 tp -87.22 -50.1 6.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 75.25 110.784 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.555 ' OE2' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -88.39 12.11 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.342 0.591 . . . . 73.450000000000003 111.49 -174.737 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HG2' ' OE2' ' A' ' 5' ' ' GLU . 39.9 mmtm -112.27 -14.1 13.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.721 -0.672 . . . . 74.439999999999998 109.912 171.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.14 86.05 1.27 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.643 -0.708 . . . . 52.310000000000002 111.927 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 9' ' ' ASP . 1.9 tm? -53.93 132.87 42.82 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.809 -0.812 . . . . 71.340000000000003 108.809 175.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' N ' HD13 ' A' ' 8' ' ' LEU . 3.2 p-10 -51.75 -36.73 48.35 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.599 0.592 . . . . 73.510000000000005 112.599 -169.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -63.06 -40.58 99.42 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.006 -0.616 . . . . 71.140000000000001 112.306 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.87 51.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.083 0.468 . . . . 70.420000000000002 110.778 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -65.17 -35.62 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.377 0.608 . . . . 75.430000000000007 109.488 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.857 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -70.27 -25.52 63.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.063 -0.971 . . . . 73.239999999999995 110.415 179.216 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.86 -8.61 56.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 71.099999999999994 110.361 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 43.2 t -101.41 -57.41 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.441 -0.799 . . . . 73.129999999999995 108.868 172.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.74 5.27 44.62 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.441 -0.8 . . . . 62.200000000000003 113.269 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 15' ' ' VAL . . . 67.64 -98.59 0.48 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.232 -0.747 . . . . 74.140000000000001 111.232 -177.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.7 pt? -86.85 -9.23 56.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.671 0.272 . . . . 62.149999999999999 110.406 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.25 -53.86 42.78 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.04 -0.527 . . . . 44.219999999999999 112.183 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.83 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 9.0 mmpt? -85.34 -30.26 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.205 -0.295 . . . . 72.439999999999998 110.205 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 20' ' ' LYS . 2.9 pp 56.12 -60.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.353 1.461 . . . . 41.210000000000001 113.279 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -81.43 43.26 2.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.355 -0.45 . . . . 40.340000000000003 112.394 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' VAL . 17.2 tttp -130.25 7.86 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.776 -0.824 . . . . 74.430000000000007 108.776 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.91 -28.57 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.737 -1.12 . . . . 75.209999999999994 111.966 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 75.109999999999999 112.045 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.98 -46.38 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.066 -0.346 . . . . 64.439999999999998 110.066 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.25 53.6 2.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.944 0.878 . . . . 70.420000000000002 110.531 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -157.0 -40.93 0.07 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.174 -1.376 . . . . 73.040000000000006 108.659 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.39 -34.15 77.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.876 -1.056 . . . . 71.329999999999998 110.942 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -31.4 29.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.517 -0.31 . . . . 61.25 110.954 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -66.03 -46.64 77.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.118 -0.492 . . . . 72.230000000000004 110.711 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 34' ' ' LYS . 7.8 p -73.53 -13.29 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.546 0.689 . . . . 52.109999999999999 110.215 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 37' ' ' VAL . . . 89.36 -12.73 65.73 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.824 -0.625 . . . . 73.430000000000007 113.218 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.523 ' H ' HG13 ' A' ' 32' ' ' VAL . 4.7 tmtp? -59.69 -39.5 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 72.310000000000002 110.653 -175.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.59 87.64 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.798 -0.715 . . . . 44.310000000000002 112.436 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.8 -25.16 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.849 0.357 . . . . 64.329999999999998 110.941 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 33' ' ' GLY . 85.3 t -69.28 -42.4 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.174 -0.466 . . . . 62.32 111.01 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -119.07 -66.55 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.689 -0.404 . . . . 71.140000000000001 111.783 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -54.42 -46.35 73.19 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.473 0.545 . . . . 74.5 112.473 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.37 -34.83 69.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.955 0.407 . . . . 74.510000000000005 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -13.74 60.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.323 -0.399 . . . . 71.530000000000001 111.074 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -81.8 -28.49 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.744 -0.465 . . . . 61.140000000000001 109.744 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.26 -23.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 62.450000000000003 110.502 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' ' 47' ' ' VAL . 93.0 mt -56.73 -28.53 61.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.145 -0.479 . . . . 60.109999999999999 111.065 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.63 -25.81 68.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 74.349999999999994 111.064 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -104.05 -42.2 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.404 -0.362 . . . . 73.239999999999995 111.549 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 44' ' ' LEU . 14.5 p -75.57 141.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 45.420000000000002 111.483 -174.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.3 pt? . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.774 -0.632 . . . . 72.319999999999993 109.575 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 110.379 -0.23 . . . . 64.0 110.379 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -81.89 101.87 10.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.186 0.517 . . . . 74.209999999999994 110.762 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' HB2' HD12 ' A' ' 4' ' ' LEU . 58.8 mt -93.3 -41.74 9.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.721 -0.672 . . . . 70.409999999999997 109.861 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' A' ' 3' ' ' LEU . 5.1 mp -122.1 164.86 17.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.482 -0.781 . . . . 75.230000000000004 109.158 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.22 -24.42 67.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.986 0.422 . . . . 75.310000000000002 110.094 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.24 -47.72 80.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.521 -0.763 . . . . 65.019999999999996 110.755 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 24.98 23.53 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.784 -0.644 . . . . 51.509999999999998 112.37 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.9 -56.07 9.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.045 -0.724 . . . . 73.239999999999995 109.045 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.23 -26.8 60.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.596 . . . . 74.519999999999996 110.647 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.07 -25.27 74.0 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.135 -0.555 . . . . 75.219999999999999 112.315 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.15 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 72.310000000000002 110.673 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.0 -47.54 8.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.434 -0.58 . . . . 71.519999999999996 109.434 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 tptm 60.07 28.41 17.96 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.559 -0.746 . . . . 70.030000000000001 110.989 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -53.26 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.228 -0.442 . . . . 54.509999999999998 111.204 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.31 -25.3 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 71.200000000000003 111.227 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.85 25.22 11.06 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.657 -0.782 . . . . 61.329999999999998 112.284 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.5 32.34 5.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.737 -0.744 . . . . 75.219999999999999 112.825 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.7 mt -77.94 -77.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.669 0.271 . . . . 71.109999999999999 110.503 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.3 51.56 0.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.781 -0.724 . . . . 62.020000000000003 111.78 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.99 74.81 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.81 0.338 . . . . 75.530000000000001 110.387 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.83 125.31 23.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 72.200000000000003 110.617 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.32 -35.48 4.72 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.117 -0.793 . . . . 43.409999999999997 111.117 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.51 5.25 52.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.517 0.675 . . . . 72.409999999999997 109.219 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.52 -40.63 9.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 75.129999999999995 109.979 175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.53 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 74.219999999999999 111.887 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 2.5 p -55.09 -52.24 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 111.671 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -78.75 -34.81 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.676 -0.238 . . . . 52.409999999999997 111.569 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.1 -42.19 99.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 61.420000000000002 110.388 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.41 -53.92 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 74.450000000000003 111.13 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 10.4 pt-20 -76.97 -12.34 59.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.815 -0.354 . . . . 70.209999999999994 111.395 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -68.72 -54.06 18.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.428 -0.582 . . . . 32.530000000000001 109.428 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.0 -20.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 74.200000000000003 110.671 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.37 75.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.86 -0.686 . . . . 32.119999999999997 111.602 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -69.81 -31.83 69.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.798 0.333 . . . . 64.319999999999993 110.633 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.06 -30.08 68.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.568 -0.825 . . . . 74.239999999999995 112.072 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . . . -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.843 0.312 . . . . 54.0 111.843 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 95.1 t -55.51 -43.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 123.145 0.278 . . . . 54.100000000000001 110.816 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -89.4 -16.29 31.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.982 -0.287 . . . . 75.310000000000002 110.938 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 17.1 t70 -73.21 -60.32 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 73.530000000000001 110.546 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 36' ' ' ALA . 13.8 p -66.76 -23.07 30.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.368 0.604 . . . . 71.540000000000006 110.338 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 1.4 tppp? -61.98 -38.18 87.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.762 . . . . 75.310000000000002 110.513 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.66 -33.5 47.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 75.109999999999999 110.3 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 39' ' ' ASP . 94.9 t -58.27 -41.99 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.4 -0.363 . . . . 61.039999999999999 111.04 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.82 -11.71 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.59 -0.277 . . . . 71.450000000000003 111.579 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.31 -47.3 5.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.362 -0.236 . . . . 72.299999999999997 110.362 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 70.05 105.21 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.672 0.789 . . . . 51.109999999999999 112.602 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.06 105.56 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.472 -0.785 . . . . 74.439999999999998 109.523 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.589 -0.719 . . . . 43.149999999999999 109.968 -178.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.708 0.29 . . . . 75.430000000000007 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.834 ' HB3' HD13 ' A' ' 8' ' ' LEU . 2.1 p -92.81 103.89 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.879 0.371 . . . . 71.329999999999998 110.992 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.1 mp -72.56 -23.76 61.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 73.109999999999999 110.067 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp -163.23 167.22 22.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.629 -1.249 . . . . 63.299999999999997 107.629 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.77 -27.07 65.56 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.2 0.524 . . . . 73.420000000000002 110.094 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -92.4 -4.24 54.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.798 -0.637 . . . . 64.299999999999997 109.807 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 57.93 0.41 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.829 -0.623 . . . . 61.109999999999999 113.097 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 2' ' ' SER . 2.6 pt? -172.46 161.63 5.13 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.914 -0.402 . . . . 73.329999999999998 109.914 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.46 -25.93 23.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 72.450000000000003 110.565 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.58 13.53 16.71 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.679 -0.691 . . . . 75.209999999999994 113.775 -174.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.64 0.06 10.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.13 0.49 . . . . 52.350000000000001 110.536 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -118.35 -61.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 75.129999999999995 109.259 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.0 mmmp? 63.03 11.78 5.43 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.085 0.772 . . . . 74.129999999999995 113.085 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.74 -48.82 44.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.097 0.475 . . . . 74.430000000000007 110.439 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.6 t -97.42 -25.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.552 0.691 . . . . 74.150000000000006 109.428 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.41 65.72 3.05 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.315 -0.857 . . . . 54.340000000000003 112.735 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.61 -90.02 1.96 Allowed Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.491 -0.644 . . . . 52.43 111.491 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -100.76 1.06 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 72.230000000000004 110.695 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.52 5.0 85.65 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.604 -0.726 . . . . 60.210000000000001 111.991 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -121.16 97.19 5.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.446 -0.576 . . . . 71.019999999999996 109.446 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -98.88 -11.25 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.326 -0.397 . . . . 71.120000000000005 111.396 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.5 -16.48 58.63 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.193 -0.527 . . . . 70.209999999999994 113.037 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.612 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -80.84 -23.34 39.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.582 0.23 . . . . 74.040000000000006 111.362 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.612 ' N ' ' HD3' ' A' ' 23' ' ' LYS . 31.6 t70 -74.91 -56.56 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.64 0.607 . . . . 74.25 112.64 -167.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.02 -26.42 63.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.561 0.578 . . . . 74.340000000000003 112.561 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 13.1 p -90.2 -30.82 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.558 0.577 . . . . 74.319999999999993 112.558 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -57.83 -46.6 84.48 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.637 0.606 . . . . 74.329999999999998 112.637 -169.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.53 -31.8 69.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.122 0.487 . . . . 74.409999999999997 111.15 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.63 -48.71 37.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 72.209999999999994 111.254 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.62 -1.72 56.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 75.239999999999995 111.605 -175.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.4 t -63.05 -58.24 7.97 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.605 -0.517 . . . . 70.120000000000005 109.605 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.32 -15.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.76 -0.654 . . . . 60.009999999999998 110.681 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.24 -34.97 90.13 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.736 -0.665 . . . . 22.23 112.819 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.43 -22.01 65.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 0.269 . . . . 72.549999999999997 111.555 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.98 -44.99 1.55 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.641 -0.79 . . . . 32.229999999999997 111.883 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.148 0.425 . . . . 63.25 112.148 -175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.55 -45.47 98.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.715 0.293 . . . . 64.430000000000007 110.872 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.11 -38.11 81.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.075 -0.342 . . . . 73.129999999999995 110.075 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 43' ' ' VAL . 11.5 t70 -59.21 -59.78 4.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 61.119999999999997 110.964 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.95 -43.67 85.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 111.06 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 tmtm? -60.1 -46.12 90.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 53.409999999999997 110.659 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.04 -42.02 98.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 61.439999999999998 110.695 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.8 t -65.77 -42.88 93.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.715 -0.675 . . . . 73.340000000000003 111.342 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 4.6 pp -72.1 -23.09 61.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.675 -0.41 . . . . 62.520000000000003 111.881 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -91.25 -13.36 32.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.262 -0.575 . . . . 62.109999999999999 110.061 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 t -79.54 -39.57 31.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.652 -0.704 . . . . 74.109999999999999 110.043 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.56 171.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.89 -0.596 . . . . 75.430000000000007 111.233 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.647 -0.692 . . . . 74.439999999999998 109.429 -179.874 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 51.9 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.981 0.419 . . . . 73.010000000000005 110.311 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -102.47 -57.12 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.948 -0.301 . . . . 65.019999999999996 111.515 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.39 -20.23 53.24 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.191 0.812 . . . . 72.109999999999999 113.191 -172.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 HD22 ' A' ' 8' ' ' LEU . 8.8 tt -53.75 -45.15 70.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.844 0.354 . . . . 65.540000000000006 110.513 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 39.4 tt0 -117.96 15.03 14.25 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.607 -0.886 . . . . 74.099999999999994 108.607 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mttm 71.74 -37.91 0.4 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.947 -1.024 . . . . 52.210000000000001 111.085 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 5' ' ' GLU . . . -139.92 45.3 1.01 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.784 -0.926 . . . . 62.530000000000001 110.784 174.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 1' ' ' SER . 59.6 tp -62.69 -44.66 95.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.313 . . . . 62.399999999999999 111.458 -175.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -72.56 -10.4 59.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 73.5 110.402 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' HA2' ' HB2' ' A' ' 13' ' ' LYS . . . -69.09 -29.38 72.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.09 -0.576 . . . . 73.150000000000006 111.773 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.09 -20.45 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 44.240000000000002 110.718 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -111.2 10.12 21.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.120000000000005 109.9 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 27.0 tptt -80.36 -44.21 19.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.628 -0.714 . . . . 51.420000000000002 111.453 -171.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.62 -10.36 32.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.376 -0.374 . . . . 72.219999999999999 111.599 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.4 t -54.22 -45.14 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.253 -0.43 . . . . 63.310000000000002 111.391 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.17 1.83 58.6 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.667 -0.778 . . . . 64.409999999999997 113.36 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.26 -9.2 6.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.575 -0.821 . . . . 74.430000000000007 112.849 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -47.23 -61.21 2.0 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.398 0.518 . . . . 75.010000000000005 112.398 -174.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.77 17.49 59.17 Favored Glycine 0 C--O 1.226 -0.397 0 C-N-CA 120.48 -0.867 . . . . 73.329999999999998 112.57 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.994 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 5.7 mmpt? -130.35 -93.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.864 0.364 . . . . 73.340000000000003 111.77 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 20' ' ' LYS . 7.4 mp -69.14 -13.77 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 62.420000000000002 111.686 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.67 68.37 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.563 -0.615 . . . . 71.299999999999997 111.563 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -111.77 -54.03 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.141 -0.318 . . . . 73.209999999999994 110.141 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t70 54.88 73.08 0.43 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.42 -0.809 . . . . 64.230000000000004 110.329 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.58 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.388 -0.824 . . . . 74.049999999999997 111.039 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.25 -20.65 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.296 0.57 . . . . 75.209999999999994 110.829 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 2.0 pm0 -64.12 -7.17 8.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.742 -0.663 . . . . 63.119999999999997 111.605 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' HG22 ' A' ' 32' ' ' VAL . 16.1 t70 -61.36 -40.29 93.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.262 0.553 . . . . 75.310000000000002 109.916 173.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -76.89 -18.5 58.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 74.049999999999997 110.442 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -91.67 -50.99 5.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.669 -0.696 . . . . 63.329999999999998 111.609 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -65.48 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 63.310000000000002 111.503 -174.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 28' ' ' ASP . 27.8 m -77.86 -11.56 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.335 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.67 -33.72 55.15 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.955 -0.858 . . . . 73.010000000000005 110.955 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? 72.2 -4.48 1.99 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.383 0.673 . . . . 73.209999999999994 111.898 173.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.5 -14.54 78.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.016 -0.612 . . . . 44.100000000000001 112.603 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -24.19 50.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.687 0.254 . . . . 55.43 111.687 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 58.6 t -55.64 -34.55 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 64.209999999999994 111.197 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.35 -44.15 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 73.099999999999994 110.68 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.34 -42.56 99.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.908 -0.587 . . . . 70.019999999999996 111.688 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.53 -27.51 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.818 0.342 . . . . 73.540000000000006 110.559 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 50.6 tptt -59.32 -34.38 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 73.329999999999998 110.87 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.41 -25.63 64.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 73.430000000000007 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.27 -50.55 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.521 . . . . 54.240000000000002 111.253 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -82.04 -7.7 59.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.965 0.412 . . . . 53.240000000000002 110.44 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.01 -58.8 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.508 . . . . 64.010000000000005 109.915 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.3 m -108.27 93.83 4.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.915 -0.584 . . . . 55.509999999999998 109.784 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG13 ' HG ' ' A' ' 48' ' ' LEU . 12.2 p -91.01 -15.58 8.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.636 -0.711 . . . . 75.040000000000006 109.966 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HG ' HG13 ' A' ' 47' ' ' VAL . 93.0 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -0.804 . . . . 74.340000000000003 110.041 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 110.583 -0.155 . . . . 70.519999999999996 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 34.7 m 58.82 44.92 16.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.213 0.53 . . . . 51.030000000000001 110.374 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.55 -59.75 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 63.439999999999998 110.23 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.5 tp -139.56 -70.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.632 . . . . 65.510000000000005 109.422 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -97.14 50.11 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.349 -0.841 . . . . 74.409999999999997 109.016 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 2' ' ' SER . 35.0 mmtp 59.98 -88.47 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.349 -0.841 . . . . 73.340000000000003 110.56 -172.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.81 48.41 0.38 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.476 -1.05 . . . . 64.030000000000001 110.476 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -40.35 -64.54 0.5 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.815 0.846 . . . . 75.200000000000003 112.854 -173.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 12.8 t70 -102.46 -20.56 14.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.852 0.358 . . . . 71.409999999999997 110.74 -178.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.75 ' HA2' ' HD3' ' A' ' 13' ' ' LYS . . . -64.4 -17.32 61.79 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.928 -0.578 . . . . 34.530000000000001 113.017 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.61 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 75.040000000000006 111.52 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -110.92 23.4 14.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.719 0.295 . . . . 73.340000000000003 110.603 -178.559 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.75 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 4.1 tptp -73.38 -13.7 61.14 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.857 -0.337 . . . . 72.420000000000002 111.339 -177.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.44 87.12 3.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.727 -0.471 . . . . 74.420000000000002 109.727 175.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t 62.81 80.2 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.518 -0.765 . . . . 73.409999999999997 110.416 -173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.55 18.37 57.53 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.52 -0.764 . . . . 43.299999999999997 112.406 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.67 53.98 3.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.944 -0.646 . . . . 72.140000000000001 112.37 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.737 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.0 pt? -99.22 -50.37 4.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.969 0.414 . . . . 74.319999999999993 110.072 177.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' N ' ' HG ' ' A' ' 18' ' ' LEU . . . -147.69 47.89 0.66 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.186 -1.166 . . . . 73.0 110.186 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 57.2 pttt -68.77 -21.13 64.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.342 -0.429 . . . . 74.120000000000005 111.916 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.48 -15.4 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.507 -0.315 . . . . 75.25 110.522 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.01 -63.59 5.06 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 116.036 -0.529 . . . . 74.209999999999994 112.821 -177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.1 pttt -92.43 -5.78 51.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.793 -0.363 . . . . 63.340000000000003 110.305 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 73.18 -40.55 0.47 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.611 0.765 . . . . 62.240000000000002 112.469 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.47 58.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.49 . . . . 72.420000000000002 112.099 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t -132.2 -53.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 73.340000000000003 109.036 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.33 -22.5 66.97 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.687 -0.688 . . . . 71.530000000000001 110.309 174.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.5 t70 -53.24 -62.13 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 64.140000000000001 111.158 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.2 -29.55 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 70.25 111.29 -176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.97 -52.66 8.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.181 -0.463 . . . . 72.5 110.276 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -67.62 -32.27 72.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 55.119999999999997 112.467 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 28' ' ' ASP . 27.1 m -61.8 -20.78 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.66 0.267 . . . . 65.040000000000006 111.385 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.67 14.61 12.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.743 -0.741 . . . . 73.409999999999997 111.652 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 54.2 41.02 32.2 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.225 0.536 . . . . 73.109999999999999 110.754 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.98 49.96 1.11 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.847 -0.901 . . . . 63.229999999999997 110.847 -175.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.3 2.39 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.207 0.447 . . . . 64.409999999999997 112.207 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.44 -32.55 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.021 0.438 . . . . 64.439999999999998 111.121 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -75.37 -68.15 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 62.219999999999999 111.051 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 75.120000000000005 112.253 -170.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.0 t -57.0 -46.43 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.481 0.181 . . . . 65.120000000000005 111.355 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -75.34 -26.31 58.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.913 0.387 . . . . 71.310000000000002 110.763 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -76.6 -38.01 55.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.043 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' ASP . 99.4 t -66.79 -38.49 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 44.32 111.39 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 pp -97.01 23.08 7.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.721 0.296 . . . . 71.409999999999997 111.335 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.91 -48.86 62.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 64.530000000000001 111.113 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 t -85.41 70.13 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.553 0.692 . . . . 74.25 110.961 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -108.14 -25.85 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.652 -0.87 . . . . 72.200000000000003 108.652 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 48' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.246 0.909 0 CA-C-N 114.967 -1.015 . . . . 72.239999999999995 109.716 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 120.873 0.368 . . . . 72.340000000000003 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -84.19 94.89 8.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.927 0.394 . . . . 51.329999999999998 110.476 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.32 -21.41 36.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.062 -0.517 . . . . 74.019999999999996 110.749 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp -170.47 171.9 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.183 -1.043 . . . . 64.310000000000002 108.183 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.84 -52.88 55.52 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.289 -0.634 . . . . 65.150000000000006 109.289 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -74.19 102.33 4.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.785 -0.821 . . . . 75.530000000000001 108.785 170.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.84 -50.09 0.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.863 -1.062 . . . . 64.010000000000005 110.602 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 9' ' ' ASP . 4.4 pp -75.68 -26.94 58.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.387 -0.597 . . . . 73.540000000000006 109.387 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.3 p-10 -77.21 -26.63 52.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.486 -0.779 . . . . 73.230000000000004 109.754 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.0 -30.9 40.93 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.511 -0.768 . . . . 74.420000000000002 112.213 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.14 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.468 . . . . 64.540000000000006 111.471 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -4.95 59.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.095 0.474 . . . . 74.519999999999996 110.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -101.28 -37.7 8.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.078 -0.51 . . . . 72.530000000000001 110.827 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.46 -31.45 72.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.539 . . . . 71.409999999999997 111.13 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.56 -23.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.233 0.54 . . . . 71.140000000000001 110.442 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.78 -24.72 44.5 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.829 -0.7 . . . . 43.520000000000003 111.784 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.43 16.03 26.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.118 -0.563 . . . . 30.420000000000002 112.734 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.91 -21.93 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 71.219999999999999 110.496 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.04 64.12 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.717 -0.754 . . . . 52.130000000000003 112.062 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -132.58 127.54 35.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.671 0.272 . . . . 53.310000000000002 110.359 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.87 117.85 8.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 75.109999999999999 110.035 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.04 -39.55 2.29 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.89 -0.884 . . . . 70.409999999999997 110.89 -173.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -96.14 -19.75 19.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.669 -0.493 . . . . 73.430000000000007 109.669 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.54 -50.67 67.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.066 -0.97 . . . . 74.319999999999993 111.349 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.536 . . . . 45.210000000000001 111.285 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 20.3 t -72.19 -51.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 61.420000000000002 109.903 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -61.45 -32.93 72.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 71.239999999999995 110.253 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.35 -45.42 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 41.450000000000003 111.146 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 4.0 pp -72.81 -30.57 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.954 0.407 . . . . 71.109999999999999 110.394 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.28 6.11 24.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.139 0.495 . . . . 62.130000000000003 110.663 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -91.37 -40.44 11.45 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.983 -0.747 . . . . 73.230000000000004 108.983 172.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -79.62 -28.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.329999999999998 110.216 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.19 1.86 84.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.966 -0.635 . . . . 74.439999999999998 111.847 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.66 -48.93 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 72.420000000000002 110.403 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.07 72.63 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.842 -0.617 . . . . 71.219999999999999 112.537 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.24 -55.88 14.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.694 0.283 . . . . 44.420000000000002 110.599 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.5 -35.11 57.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.329 0.585 . . . . 71.319999999999993 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.93 -45.06 83.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.44 -0.8 . . . . 72.549999999999997 110.607 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 41' ' ' LYS . 30.2 t70 -63.83 -39.47 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.230000000000004 111.506 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 36' ' ' ALA . 14.3 t -75.99 26.88 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.877 0.846 . . . . 63.439999999999998 110.611 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 58.0 tttm -150.19 -42.01 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.807 -0.812 . . . . 73.420000000000002 108.807 172.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.75 -47.24 64.17 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.342 -0.845 . . . . 72.200000000000003 111.395 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -91.63 -10.84 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.39 0.614 . . . . 71.140000000000001 110.395 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . 55.7 tp -83.07 -39.61 20.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.505 . . . . 71.439999999999998 111.406 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 63.9 m-20 -72.0 -17.13 62.07 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.938 0.399 . . . . 72.349999999999994 110.537 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -70.05 106.37 3.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.807 -0.633 . . . . 73.5 110.928 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.7 p -153.61 155.23 6.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.363 -0.606 . . . . 71.140000000000001 109.363 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.33 -0.843 . . . . 72.209999999999994 110.269 -178.48 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.785 0.326 . . . . 73.450000000000003 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 p -125.55 161.48 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.578 -0.283 . . . . 73.5 110.682 -177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.32 -85.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.439999999999998 111.402 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.5 tp -121.71 144.44 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.335 -0.393 . . . . 52.450000000000003 110.918 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -52.72 -51.66 59.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.727 -0.67 . . . . 65.329999999999998 111.27 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -92.76 22.19 4.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.492 . . . . 64.230000000000004 110.946 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 34.28 1.13 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 71.340000000000003 111.676 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 110.78 19.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.567 -0.531 . . . . 74.150000000000006 109.567 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -66.75 -23.41 66.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.392 . . . . 70.209999999999994 111.18 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.87 69.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.078 -0.582 . . . . 72.439999999999998 112.233 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.06 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.544 0.212 . . . . 53.420000000000002 111.36 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.01 -34.86 8.31 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.678 -0.409 . . . . 75.530000000000001 111.41 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -39.56 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.208 -0.308 . . . . 55.109999999999999 111.129 -174.644 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.06 5.69 32.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.589 0.233 . . . . 74.530000000000001 111.51 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.52 -22.33 4.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 72.120000000000005 110.307 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 20' ' ' LYS . . . 130.96 -29.48 3.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.757 -0.735 . . . . 70.409999999999997 112.381 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.98 -113.83 5.69 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.06 -0.59 . . . . 73.5 111.75 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -114.35 3.42 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.176 0.512 . . . . 54.219999999999999 110.462 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.79 -50.68 0.78 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.682 -0.69 . . . . 44.340000000000003 111.773 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 50.0 mtmt 70.75 -56.23 0.62 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.523 0.729 . . . . 72.0 112.38 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.88 -16.01 47.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.294 . . . . 73.530000000000001 111.7 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.47 -20.53 63.6 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.792 -0.718 . . . . 51.039999999999999 112.024 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 3.4 mmmp? -72.29 -23.93 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.223 0.209 . . . . 42.140000000000001 111.261 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -49.09 -55.71 11.34 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.594 0.559 . . . . 43.329999999999998 112.236 -174.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.55 -22.78 58.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 65.25 111.505 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -83.64 -25.34 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.527 -0.306 . . . . 72.349999999999994 111.211 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.754 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 24.8 mt-10 -62.79 -18.57 62.93 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 112.17 0.433 . . . . 63.340000000000003 112.17 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.65 -19.65 44.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 65.140000000000001 110.529 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.6 tp -105.83 -35.53 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 75.209999999999994 111.113 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.754 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 12.1 pt-20 -67.5 -25.11 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 75.299999999999997 111.177 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -68.17 -40.43 82.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 74.219999999999999 111.382 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 34' ' ' LYS . 14.9 p -79.79 -22.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.835 0.35 . . . . 52.140000000000001 110.211 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.69 61.41 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.885 -0.598 . . . . 65.510000000000005 113.583 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' H ' HG13 ' A' ' 32' ' ' VAL . 92.1 mttt 64.03 9.44 4.63 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.903 0.481 . . . . 72.040000000000006 111.471 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.76 47.3 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.505 -0.638 . . . . 51.509999999999998 111.505 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -19.02 57.58 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.901 0.334 . . . . 63.420000000000002 111.901 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.34 -35.09 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.32 -0.4 . . . . 62.399999999999999 110.701 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -91.18 -43.81 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 75.120000000000005 109.68 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.8 t70 -65.7 -50.06 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.93 -1.032 . . . . 74.409999999999997 112.411 -169.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 88.8 t -62.33 -36.04 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 64.0 111.214 -175.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.36 -23.53 66.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.802 0.334 . . . . 45.329999999999998 110.824 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 -40.63 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.034 0.445 . . . . 75.510000000000005 109.975 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 39' ' ' ASP . 48.1 t -63.9 -41.78 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.562 -0.744 . . . . 65.340000000000003 111.232 -178.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 pp -79.63 2.43 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.034 0.445 . . . . 61.219999999999999 111.288 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -108.7 13.15 25.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.742 0.782 . . . . 74.150000000000006 109.966 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.7 p -78.59 3.41 16.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.67 121.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 72.109999999999999 110.737 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 48' ' ' LEU . 4.8 mp . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 73.420000000000002 110.235 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.978 0.418 . . . . 72.420000000000002 110.578 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -166.75 157.0 11.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.507 -0.553 . . . . 71.120000000000005 109.507 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -141.62 -36.03 0.44 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.582 -0.281 . . . . 71.340000000000003 110.838 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -140.2 175.76 9.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.967 -0.383 . . . . 64.439999999999998 109.967 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.26 -39.56 92.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.195 0.521 . . . . 74.340000000000003 109.958 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -90.07 7.41 37.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.641 -0.709 . . . . 71.540000000000006 110.379 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.35 26.84 6.24 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.34 -0.704 . . . . 72.230000000000004 111.34 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 3.2 tt -90.44 102.18 14.91 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.553 -0.906 . . . . 74.030000000000001 108.553 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.97 -45.85 64.57 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.7 -0.682 . . . . 73.150000000000006 112.483 -172.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.54 95.61 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.036 -0.602 . . . . 65.510000000000005 112.533 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . . . -73.05 -31.13 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.897 0.38 . . . . 74.540000000000006 111.016 -177.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.89 -16.53 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 111.106 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 7.9 ptpp? -119.29 22.19 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.848 0.356 . . . . 54.420000000000002 110.938 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.69 -58.05 3.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 60.310000000000002 110.464 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.59 -34.35 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 71.430000000000007 110.116 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.26 -91.62 0.67 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.655 -0.783 . . . . 75.349999999999994 111.876 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.619 ' HA2' ' HB2' ' A' ' 13' ' ' LYS . . . 73.71 -77.73 0.92 Allowed Glycine 0 C--O 1.228 -0.271 0 C-N-CA 121.143 -0.551 . . . . 72.109999999999999 112.651 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 18' ' ' LEU . 5.7 mp -73.17 -29.13 62.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.342 0.591 . . . . 50.409999999999997 109.771 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.23 98.68 2.11 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.382 -0.826 . . . . 73.349999999999994 111.994 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -82.8 51.07 1.82 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.673 0.749 . . . . 62.439999999999998 109.651 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.861 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.6 pp -53.14 -25.38 13.2 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.97 -1.014 . . . . 74.450000000000003 113.49 -170.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -59.76 -37.42 92.4 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.8 -0.714 . . . . 74.420000000000002 112.054 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 -26.47 12.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.322 0.582 . . . . 74.349999999999994 109.62 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.861 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 15.7 t70 -61.36 -43.73 98.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.112 -0.949 . . . . 70.319999999999993 111.172 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.37 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 64.409999999999997 111.263 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.31 -30.93 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.439999999999998 110.376 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.04 -20.84 65.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 73.040000000000006 110.778 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.9 -34.27 77.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.26 0.552 . . . . 73.510000000000005 110.075 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD11 ' HA3' ' A' ' 35' ' ' GLY . 35.7 tp -85.56 -46.52 10.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.9 -0.591 . . . . 74.129999999999995 110.084 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.3 -71.16 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.518 -0.765 . . . . 75.549999999999997 112.426 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 m -61.04 -40.03 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.163 0.431 . . . . 53.530000000000001 112.163 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.03 -38.61 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 61.140000000000001 110.717 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.32 74.43 0.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 51.140000000000001 112.487 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -129.46 3.72 5.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.062 0.393 . . . . 71.329999999999998 112.062 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.735 ' HA3' HD11 ' A' ' 29' ' ' LEU . . . -137.07 -26.0 0.4 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 119.548 -1.31 . . . . 53.329999999999998 114.292 -173.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -60.72 2.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.008 0.404 . . . . 52.210000000000001 111.843 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 t -94.76 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.307 0.575 . . . . 64.430000000000007 110.159 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 33.4 t-80 -168.89 -53.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.685 -0.689 . . . . 74.5 110.293 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.6 t70 -74.44 -55.66 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.475 -0.329 . . . . 74.25 110.218 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 t -56.58 -29.73 30.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 70.140000000000001 110.356 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' HIS . 7.3 tmtm? -54.28 -48.37 71.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.526 -0.761 . . . . 74.129999999999995 110.701 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.08 -31.36 50.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 61.229999999999997 110.655 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' ASP . 60.6 t -63.31 -39.1 84.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.113 -0.494 . . . . 61.520000000000003 110.359 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.5 tp -68.32 -37.19 80.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.751 -0.658 . . . . 61.450000000000003 110.622 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -65.24 -57.0 9.59 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.987 0.422 . . . . 73.450000000000003 109.938 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t 60.04 82.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.029 -0.987 . . . . 71.040000000000006 111.149 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -86.37 -30.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.01 -0.737 . . . . 65.239999999999995 109.01 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--O 1.243 0.76 0 CA-C-N 115.04 -0.982 . . . . 53.509999999999998 109.519 174.507 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.202 0.525 . . . . 61.310000000000002 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -89.25 168.25 12.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.664 -0.698 . . . . 73.299999999999997 110.385 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.713 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.5 pt? -79.57 39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 74.200000000000003 110.144 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.87 -74.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 110.49 -175.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -72.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 74.519999999999996 110.197 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -78.3 29.18 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.109 0.411 . . . . 72.519999999999996 112.109 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA3' ' HB2' ' A' ' 3' ' ' LEU . . . -132.36 -84.92 0.28 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.811 -0.709 . . . . 31.34 112.054 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.61 -54.32 33.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.924 0.393 . . . . 65.129999999999995 110.267 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.536 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 22.1 t70 -81.91 -17.79 45.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.396 0.617 . . . . 75.439999999999998 110.044 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.59 -22.56 73.43 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.326 -0.71 . . . . 53.409999999999997 111.326 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 15' ' ' VAL . . . -60.84 -33.53 73.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.586 0.231 . . . . 52.109999999999999 110.562 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -64.74 -37.86 89.02 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 120.943 0.401 . . . . 72.209999999999994 110.515 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -73.47 -19.31 60.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.239999999999995 110.752 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.62 -48.54 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 44.210000000000001 111.199 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 11' ' ' ALA . 11.2 p -76.39 -23.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 74.329999999999998 110.511 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.56 60.79 4.7 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 116.001 -0.545 . . . . 55.219999999999999 112.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.53 -38.05 7.81 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.571 -0.823 . . . . 45.109999999999999 111.114 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 18' ' ' LEU . 2.0 pp -89.79 8.26 32.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.995 0.426 . . . . 53.219999999999999 110.807 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.59 58.77 0.19 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 121.032 -0.604 . . . . 73.239999999999995 111.739 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 30.1 ttmt -71.04 -24.42 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.402 0.62 . . . . 72.340000000000003 110.114 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.4 pt? -126.78 147.82 49.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 71.439999999999998 109.303 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -45.5 1.99 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.716 -0.754 . . . . 75.019999999999996 112.131 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -72.88 -21.28 60.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 72.439999999999998 110.619 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -68.06 -30.02 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 74.430000000000007 110.19 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -23.42 42.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.186 0.517 . . . . 72.219999999999999 110.383 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -72.28 -33.29 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 71.329999999999998 110.528 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -51.4 -55.21 19.89 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.027 -0.533 . . . . 72.019999999999996 110.944 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' O ' HG12 ' A' ' 32' ' ' VAL . 16.8 t70 -51.1 -50.06 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.758 -0.655 . . . . 71.140000000000001 111.44 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.48 -46.69 80.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.978 -0.555 . . . . 42.149999999999999 112.106 -175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -18.62 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 71.219999999999999 111.878 -175.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 m -82.59 -37.59 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.164 -0.335 . . . . 74.420000000000002 111.127 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 28' ' ' ASP . 5.8 p -87.77 -24.94 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.86 0.362 . . . . 53.009999999999998 110.448 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.72 74.21 0.67 Allowed Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 72.0 112.674 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -81.64 -81.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.947 -0.301 . . . . 61.43 111.093 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.11 -28.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.216 -0.992 . . . . 61.399999999999999 113.678 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -45.18 -51.85 10.07 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.644 0.609 . . . . 55.219999999999999 112.644 -175.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.61 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.046 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -63.41 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 75.219999999999999 110.303 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.25 -43.36 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 65.530000000000001 111.569 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 36' ' ' ALA . 93.8 t -58.82 -42.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 72.540000000000006 110.498 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.721 ' HD2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -70.39 -40.62 73.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 72.329999999999998 109.695 178.295 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.24 -44.39 95.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.699 -0.682 . . . . 74.019999999999996 112.184 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.18 -46.07 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.689 0.28 . . . . 72.430000000000007 111.449 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.8 tp -70.66 -64.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 60.530000000000001 110.874 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.721 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . 29.2 t70 -83.11 82.05 8.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.703 0.763 . . . . 73.409999999999997 109.945 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -139.86 -36.84 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.412 -1.267 . . . . 70.340000000000003 109.275 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.82 97.36 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.931 -0.577 . . . . 73.409999999999997 109.763 176.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.548 -0.739 . . . . 62.119999999999997 110.19 -177.703 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 121.012 0.434 . . . . 73.430000000000007 110.383 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -71.0 120.84 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.808 -0.633 . . . . 63.549999999999997 110.282 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.5 -27.44 13.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.757 0.313 . . . . 75.230000000000004 111.068 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 12.8 tp -161.77 -177.01 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.315 -0.995 . . . . 72.340000000000003 108.315 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.719 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.18 -31.99 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.389 0.54 . . . . 74.239999999999995 110.682 -178.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.719 ' HD3' ' HG2' ' A' ' 5' ' ' GLU . 3.6 mppt? -98.29 -4.4 35.19 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.71 -0.478 . . . . 75.150000000000006 109.71 168.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.4 52.63 4.12 Favored Glycine 0 N--CA 1.454 -0.147 0 CA-C-N 115.835 -0.62 . . . . 64.129999999999995 112.559 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -164.19 -70.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.138 -1.06 . . . . 73.120000000000005 108.138 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.87 -43.9 67.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.67 -0.696 . . . . 65.019999999999996 111.195 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.37 -16.64 75.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.855 -0.688 . . . . 51.219999999999999 112.951 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.27 -11.46 27.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.704 0.288 . . . . 42.140000000000001 110.905 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -135.29 33.41 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.504 . . . . 62.229999999999997 109.638 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -64.16 91.63 0.07 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.461 -0.79 . . . . 73.239999999999995 112.334 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.13 19.5 1.47 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.254 -0.885 . . . . 64.540000000000006 112.577 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t 58.33 95.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 109.047 -0.723 . . . . 72.510000000000005 109.047 -169.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.2 47.27 2.28 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.713 -0.676 . . . . 53.399999999999999 113.992 -169.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.78 -13.41 53.44 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.9 -0.666 . . . . 65.129999999999995 111.812 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.3 pt? -82.12 91.17 6.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.475 0.655 . . . . 71.439999999999998 110.692 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.18 -40.77 2.38 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 115.695 -0.684 . . . . 74.239999999999995 113.7 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.647 0.223 . . . . 63.140000000000001 110.94 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt 75.08 -48.57 0.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.512 0.725 . . . . 72.329999999999998 112.679 174.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.97 -48.99 13.96 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.498 0.559 . . . . 32.130000000000003 114.498 -174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.54 -53.53 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.087 0.444 . . . . 74.420000000000002 111.128 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.89 -28.75 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.248 0.547 . . . . 55.450000000000003 111.282 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 -9.71 59.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.987 -0.551 . . . . 71.329999999999998 112.19 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.34 -33.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.478 -0.489 . . . . 73.420000000000002 112.007 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.15 -48.98 75.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 74.209999999999994 111.596 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.4 -33.46 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.976 0.417 . . . . 65.140000000000001 110.694 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.18 -41.47 97.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 71.409999999999997 111.792 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 12.1 pt-20 -89.66 -30.63 17.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.838 0.31 . . . . 71.200000000000003 111.838 -176.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 t -75.02 -20.28 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 64.120000000000005 111.403 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.4 p -80.66 36.71 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-O 121.813 0.816 . . . . 50.200000000000003 111.566 -176.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.6 11.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.843 -0.694 . . . . 71.310000000000002 113.387 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 1.5 mptm? -100.08 -74.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.522 -0.399 . . . . 63.439999999999998 110.874 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.51 -37.46 14.22 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.681 -0.771 . . . . 73.549999999999997 112.781 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.15 -44.42 61.42 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.411 0.523 . . . . 70.010000000000005 112.411 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -25.25 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.635 -0.257 . . . . 64.420000000000002 111.68 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -71.83 -40.42 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 74.25 110.408 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.4 -42.56 35.82 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.07 -0.513 . . . . 71.25 110.391 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 36' ' ' ALA . 75.7 t -58.57 -40.92 80.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 55.310000000000002 110.729 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -52.32 -51.31 59.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.333 -0.394 . . . . 73.129999999999995 110.707 179.395 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.22 -49.78 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.848 -0.615 . . . . 73.530000000000001 111.761 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.13 -45.99 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.378 -0.374 . . . . 73.420000000000002 111.468 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.97 -32.36 74.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 71.299999999999997 111.053 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -78.33 -26.89 46.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 73.25 110.694 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -79.03 -56.0 4.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.315 -0.402 . . . . 71.109999999999999 110.395 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -134.57 141.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 71.450000000000003 110.945 -174.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.582 -0.723 . . . . 75.349999999999994 109.578 178.014 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 110.095 -0.335 . . . . 73.219999999999999 110.095 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.586 ' HB3' HD23 ' A' ' 4' ' ' LEU . 32.4 m -60.37 116.75 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 65.420000000000002 110.476 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 3' ' ' LEU . 1.9 pp -80.36 20.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.121 0.486 . . . . 55.32 111.763 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 2' ' ' SER . 3.4 mm? -75.1 -168.38 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.209 -0.663 . . . . 61.340000000000003 109.209 173.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.71 -4.64 4.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 72.340000000000003 112.396 -174.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -16.13 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.647 0.26 . . . . 73.230000000000004 110.843 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.16 -43.93 0.28 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.881 -0.676 . . . . 75.519999999999996 111.589 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.35 103.05 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.963 -0.754 . . . . 72.519999999999996 108.963 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 12' ' ' LYS . 10.3 t70 -82.34 119.07 23.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.09 0.472 . . . . 71.010000000000005 111.286 -175.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.8 -11.46 12.71 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.895 -1.282 . . . . 42.109999999999999 109.895 170.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.95 82.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.048 -0.576 . . . . 42.43 112.308 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HG2' ' OD1' ' A' ' 9' ' ' ASP . 33.5 mmtm -76.73 -34.12 58.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.338 0.59 . . . . 71.409999999999997 110.038 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -75.31 -37.66 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.713 -0.676 . . . . 65.120000000000005 111.534 -175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.16 -49.19 46.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 74.120000000000005 111.47 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.56 -20.72 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.335 0.588 . . . . 71.400000000000006 111.05 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.82 -6.58 88.3 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.569 -0.824 . . . . 54.43 112.039 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.09 -87.95 0.39 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.121 -0.562 . . . . 65.230000000000004 112.087 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.5 pt? -98.91 23.95 8.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 72.299999999999997 110.317 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.18 5.25 43.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.687 -0.768 . . . . 74.439999999999998 112.371 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp 76.39 -12.44 1.03 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.73 0.812 . . . . 71.540000000000006 111.748 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . 10.3 mp -59.56 -22.87 62.33 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.878 0.325 . . . . 74.140000000000001 111.878 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.75 -33.99 88.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 60.240000000000002 111.666 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -90.76 -28.89 17.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.665 0.269 . . . . 74.239999999999995 110.381 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.681 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 1.8 m-20 -57.1 -37.9 72.59 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.036 -0.529 . . . . 63.409999999999997 110.904 175.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.54 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 72.239999999999995 111.728 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.04 -50.62 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 74.310000000000002 110.623 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.97 -53.83 40.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.695 -0.684 . . . . 72.420000000000002 111.25 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -64.29 -34.97 79.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 73.450000000000003 111.999 -172.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.38 -44.31 87.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 52.020000000000003 111.52 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -90.45 -19.69 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.627 -0.429 . . . . 61.329999999999998 111.768 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 t -69.77 -24.12 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 72.329999999999998 110.508 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 m -93.81 6.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 75.109999999999999 111.0 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.21 49.94 49.07 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.967 -0.56 . . . . 51.409999999999997 113.238 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -113.62 21.02 15.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.511 0.672 . . . . 73.239999999999995 110.455 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 -56.02 0.52 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 35.520000000000003 112.346 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.39 -0.7 26.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.703 0.287 . . . . 74.120000000000005 111.54 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.69 -22.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 75.5 111.045 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.3 -40.69 43.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 110.908 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.0 -30.92 65.72 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.593 0.59 . . . . 75.510000000000005 112.593 -173.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.94 -43.75 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.758 -0.377 . . . . 72.140000000000001 110.572 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -70.3 -42.61 71.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 74.129999999999995 110.425 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.59 -46.82 88.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.656 -0.702 . . . . 72.420000000000002 111.434 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.18 -50.41 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 75.400000000000006 111.675 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 45' ' ' ASP . 4.4 pp -64.56 -25.63 68.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.815 0.341 . . . . 75.450000000000003 111.443 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 -20.16 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.354 -0.385 . . . . 75.329999999999998 110.641 -178.747 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -88.81 -10.86 46.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 71.109999999999999 111.289 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.46 125.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.552 . . . . 75.329999999999998 110.865 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.908 ' H ' HD23 ' A' ' 48' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.179 -0.915 . . . . 62.43 110.546 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.6 0.238 . . . . 44.409999999999997 110.532 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.596 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 21.8 m 66.95 10.84 7.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.811 -0.631 . . . . 74.010000000000005 112.18 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 3' ' ' LEU . 2.0 tm? -76.91 -63.23 1.41 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.701 -0.852 . . . . 73.120000000000005 108.701 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 97.0 mt -87.6 -22.84 24.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.452 0.644 . . . . 71.319999999999993 109.641 176.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 28.1 mt-10 -73.81 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.061 -0.972 . . . . 64.120000000000005 111.538 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -133.31 -53.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.472 -0.331 . . . . 44.109999999999999 110.608 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.09 -10.17 68.28 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.064 -0.516 . . . . 43.140000000000001 113.457 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 58.5 tp -102.95 -61.7 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.008 0.404 . . . . 70.019999999999996 110.459 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -58.61 -46.82 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.530000000000001 111.446 -178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.11 -25.82 73.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.946 -0.645 . . . . 61.439999999999998 112.888 -175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.51 92.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.864 0.364 . . . . 73.340000000000003 111.339 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 4.1 mptp? -78.59 -3.43 43.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 73.150000000000006 110.848 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 1.4 tmtp? -97.5 -36.24 10.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.004 -0.739 . . . . 71.319999999999993 109.004 174.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -28.95 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 73.219999999999999 111.547 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.66 -4.43 5.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.54 0.686 . . . . 73.319999999999993 110.728 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.727 ' HA3' ' HB3' ' A' ' 20' ' ' LYS . . . 91.8 -53.61 2.99 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.916 -0.583 . . . . 72.430000000000007 112.412 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.85 -100.39 0.76 Allowed Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.831 -0.508 . . . . 71.519999999999996 111.831 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -100.14 -11.0 20.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.006 0.431 . . . . 74.0 110.428 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.37 16.61 31.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.751 -0.738 . . . . 75.319999999999993 111.742 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.727 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -79.78 154.84 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.326 -0.25 . . . . 75.420000000000002 110.326 -178.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.8 mt 72.2 -10.02 0.95 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.48 0.712 . . . . 71.239999999999995 110.959 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' LYS . . . -85.83 -56.79 2.27 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 60.340000000000003 111.972 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -89.61 -25.08 21.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.172 -0.211 . . . . 74.230000000000004 111.185 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 72.81 -61.36 0.5 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.157 0.799 . . . . 74.0 113.157 169.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.1 67.63 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.914 0.709 . . . . 74.299999999999997 112.914 -171.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG13 ' HG3' ' A' ' 27' ' ' GLU . 11.7 p -62.93 -26.88 42.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.125 0.488 . . . . 73.340000000000003 111.297 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 18.7 mt-10 -90.8 -5.58 55.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 74.310000000000002 110.876 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -87.57 -55.97 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 54.130000000000003 111.239 -174.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.7 pt? -65.36 -25.48 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.525 -0.307 . . . . 41.140000000000001 111.817 -173.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -25.21 55.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 71.420000000000002 110.488 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -79.57 -34.11 41.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 71.340000000000003 109.82 174.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.23 -38.73 81.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.821 -0.627 . . . . 71.519999999999996 110.549 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.48 -62.77 4.01 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.821 -0.704 . . . . 64.230000000000004 112.571 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.75 -28.63 68.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.444 0.164 . . . . 73.430000000000007 111.151 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.99 -42.77 95.08 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.87 -0.681 . . . . 73.400000000000006 111.836 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.53 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.744 0.307 . . . . 74.109999999999999 110.292 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.95 -43.85 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 61.210000000000001 110.983 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -71.86 -67.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 75.329999999999998 111.763 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -34.11 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 73.340000000000003 112.906 -166.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.49 -40.64 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 74.209999999999994 110.009 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -95.66 33.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.634 0.73 . . . . 62.210000000000001 109.547 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.54 -58.15 1.34 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.381 -0.827 . . . . 65.129999999999995 109.886 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.33 -61.76 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.533 -0.758 . . . . 72.439999999999998 111.35 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 15.31 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.38 0.61 . . . . 74.409999999999997 110.969 -178.574 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.75 -11.14 20.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.016 -0.735 . . . . 73.430000000000007 109.016 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 m 64.26 26.48 13.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.614 -1.176 . . . . 74.510000000000005 111.444 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 47' ' ' VAL . 5.5 p -93.34 89.56 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 121.934 0.873 . . . . 64.409999999999997 110.35 177.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.359 -0.829 . . . . 75.319999999999993 109.81 178.629 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.154 -0.313 . . . . 71.420000000000002 110.154 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.609 ' HB3' HD12 ' A' ' 8' ' ' LEU . 19.3 m -104.05 99.18 8.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.058 0.456 . . . . 75.209999999999994 110.351 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' HB2' HD23 ' A' ' 4' ' ' LEU . 72.9 mt -95.71 -48.27 5.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.400000000000006 110.963 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 3' ' ' LEU . 2.3 pt? -157.22 -166.79 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.251 -0.431 . . . . 53.539999999999999 109.946 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -65.94 0.54 Allowed 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.441 0.463 . . . . 54.210000000000001 109.888 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -84.55 72.13 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.67 0.748 . . . . 72.209999999999994 109.471 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.95 37.62 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.495 -1.23 . . . . 73.430000000000007 110.443 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 2' ' ' SER . 29.0 tp -95.54 -28.72 14.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.652 . . . . 65.310000000000002 109.579 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.96 -55.37 5.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.865 -1.061 . . . . 50.32 111.055 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.46 23.49 77.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.439 -0.664 . . . . 70.349999999999994 111.439 -174.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.46 -52.55 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 75.420000000000002 110.238 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.52 -36.27 68.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.295 -0.632 . . . . 70.420000000000002 109.295 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.79 -30.83 71.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.337 -0.847 . . . . 71.530000000000001 110.085 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.31 50.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 64.239999999999995 111.975 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.31 -27.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.837 -0.345 . . . . 70.109999999999999 111.527 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.83 -62.76 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.124 -0.56 . . . . 75.430000000000007 112.752 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.32 -12.86 64.98 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 62.119999999999997 112.787 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -58.78 -30.15 67.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.873 0.368 . . . . 54.229999999999997 111.941 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.58 19.43 9.09 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.566 -0.826 . . . . 52.020000000000003 112.413 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -119.04 99.42 6.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.172 -0.307 . . . . 71.150000000000006 110.172 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.26 125.49 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.942 0.401 . . . . 61.399999999999999 110.294 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.18 -42.26 2.01 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.759 -0.936 . . . . 74.140000000000001 110.759 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -74.97 -22.42 58.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.445 0.641 . . . . 72.150000000000006 109.363 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.44 -15.47 57.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.879 . . . . 74.209999999999994 110.75 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.17 -31.01 58.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.414 . . . . 73.530000000000001 111.299 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.732 ' HA ' HD21 ' A' ' 29' ' ' LEU . 9.3 p -89.29 -12.93 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.131 0.491 . . . . 53.299999999999997 110.537 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -48.53 81.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.73 -0.668 . . . . 63.25 110.834 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.7 -56.95 13.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.599 -0.728 . . . . 74.310000000000002 112.093 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.741 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.86 -25.08 68.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.529 -0.305 . . . . 54.109999999999999 111.777 -176.065 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 43.0 mt-10 -70.72 -66.71 0.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.469 . . . . 74.040000000000006 110.672 177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.9 m -67.66 -25.14 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 71.329999999999998 112.566 -171.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.96 -47.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.759 -0.376 . . . . 62.340000000000003 110.804 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.47 -43.94 52.14 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.905 -0.664 . . . . 65.439999999999998 112.955 -176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -83.03 -20.54 34.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.145 0.498 . . . . 61.25 110.27 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . -120.55 48.27 0.96 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.465 -0.874 . . . . 71.319999999999993 113.242 -175.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.34 79.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.239 0.542 . . . . 74.230000000000004 109.618 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.43 -27.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.71 -0.677 . . . . 62.420000000000002 110.013 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 25.7 t60 -61.93 -39.59 92.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.58 -0.736 . . . . 72.219999999999999 110.349 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.25 -42.12 60.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 74.209999999999994 110.844 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.66 -33.45 63.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.017 -0.538 . . . . 61.219999999999999 110.699 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -54.97 -42.27 72.17 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.709 -0.678 . . . . 73.109999999999999 111.033 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.82 -52.23 43.22 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.514 0.509 . . . . 64.140000000000001 112.162 -174.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.33 -45.58 82.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 64.340000000000003 111.01 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 tp -70.63 -31.78 68.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 65.430000000000007 111.718 -174.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -75.62 -37.34 59.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.44 . . . . 72.319999999999993 111.366 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 p -90.85 -43.92 9.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 75.120000000000005 111.857 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -88.49 119.06 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 70.209999999999994 111.01 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.446 HD12 ' OXT' ' A' ' 48' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.44 -0.791 . . . . 71.219999999999999 110.451 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.064 0.459 . . . . 63.229999999999997 111.132 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.474 ' H ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m -137.32 144.47 42.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.006 -0.543 . . . . 74.420000000000002 109.862 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' H ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -58.37 -34.87 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 74.209999999999994 111.151 -178.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -90.6 106.75 18.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.461 . . . . 64.409999999999997 110.651 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 69.09 -76.43 0.06 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.069 0.856 . . . . 74.340000000000003 112.672 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -80.04 50.42 1.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.116 0.784 . . . . 61.43 113.116 -167.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' HA3' ' H ' ' A' ' 2' ' ' SER . . . 156.53 29.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.314 -0.946 . . . . 63.219999999999999 113.399 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.4 tp -102.36 105.41 16.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.873 -0.418 . . . . 73.329999999999998 109.873 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -62.47 -46.75 87.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 55.119999999999997 111.884 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 20' ' ' LYS . . . -59.44 -33.53 76.76 Favored Glycine 0 CA--C 1.516 0.141 0 CA-C-N 116.019 -0.537 . . . . 71.340000000000003 113.502 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.44 5.0 50.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.7 0.286 . . . . 74.340000000000003 111.478 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -118.38 -57.26 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.705 -0.225 . . . . 72.400000000000006 111.278 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 57.72 26.65 13.3 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.558 0.537 . . . . 64.140000000000001 111.658 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 15' ' ' VAL . . . 63.24 71.0 0.52 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.777 -0.647 . . . . 51.219999999999999 111.632 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 14' ' ' ALA . 4.3 m 60.29 -35.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 126.163 1.785 . . . . 73.120000000000005 114.748 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 142.62 40.94 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.094 -0.574 . . . . 53.399999999999999 112.815 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.973 ' HA2' ' HE2' ' A' ' 20' ' ' LYS . . . -86.84 59.27 4.57 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.09 -0.576 . . . . 70.510000000000005 112.527 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 2.2 pt? -126.62 99.49 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.266 0.555 . . . . 71.329999999999998 110.661 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.87 -29.61 10.82 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.823 -0.703 . . . . 73.010000000000005 113.208 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.973 ' HE2' ' HA2' ' A' ' 17' ' ' GLY . 60.5 pttt -60.15 -39.5 86.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.894 0.378 . . . . 63.43 111.563 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.2 mt -113.87 19.46 16.59 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.355 -0.609 . . . . 75.450000000000003 109.355 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.71 -55.19 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.229 -0.896 . . . . 74.230000000000004 112.681 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -30.07 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 64.010000000000005 111.838 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.96 -6.94 41.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.196 0.522 . . . . 72.420000000000002 110.637 -172.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -12.03 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 43.009999999999998 111.608 -177.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.5 p -68.84 -22.85 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 70.140000000000001 110.635 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' SER . 32.7 mm-40 -64.52 -34.44 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 71.329999999999998 110.799 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.36 -14.87 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 71.439999999999998 110.66 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -92.69 -76.17 0.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 73.200000000000003 111.542 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -96.92 -23.82 16.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 64.400000000000006 112.493 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 21.6 t -69.94 -39.26 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 70.439999999999998 110.262 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.05 -28.1 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.343 -0.389 . . . . 74.400000000000006 110.388 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.5 -17.81 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.773 -0.649 . . . . 72.530000000000001 112.818 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -72.06 -28.42 63.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.272 0.558 . . . . 60.32 109.641 177.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 54.14 0.47 Allowed Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 111.097 -0.801 . . . . 74.030000000000001 111.097 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.56 63.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.803 0.335 . . . . 22.41 111.281 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 t -64.3 -23.0 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.325 0.583 . . . . 71.0 110.676 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -98.52 -48.98 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 74.340000000000003 110.196 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.01 -35.58 66.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.012 -0.54 . . . . 53.0 112.298 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 41' ' ' LYS . 14.7 p -56.42 -33.4 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.689 0.28 . . . . 70.329999999999998 111.264 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG3' HG13 ' A' ' 40' ' ' VAL . 54.2 mtmt -100.63 -25.22 14.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.863 0.363 . . . . 65.200000000000003 110.694 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.94 -47.86 73.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 64.129999999999995 110.53 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.05 -35.02 69.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 65.439999999999998 110.392 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' HG12 ' A' ' 47' ' ' VAL . 73.9 mt -65.75 -33.38 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 61.539999999999999 110.742 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.78 -28.41 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 62.219999999999999 110.765 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 m -84.98 10.74 11.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 60.140000000000001 111.019 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 44' ' ' LEU . 9.3 p -142.01 15.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.926 0.869 . . . . 73.010000000000005 109.35 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.253 -0.885 . . . . 64.219999999999999 110.064 -177.055 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.325 -0.31 . . . . 73.25 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.21 61.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.798 0.332 . . . . 54.33 111.157 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.91 -48.24 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.791 -0.641 . . . . 71.32 110.412 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -66.14 -36.42 83.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.963 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.0 t70 -60.15 -56.89 16.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.285 . . . . 62.23 110.564 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 8.2 p -67.46 -38.05 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.415 -0.357 . . . . 63.35 110.837 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -62.21 -45.92 91.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.453 -0.339 . . . . 62.44 111.062 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.82 -37.09 76.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.999 -0.546 . . . . 74.53 111.164 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.4 t -66.73 -36.55 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.002 0.43 . . . . 53.04 110.702 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 97.1 mt -73.24 -16.39 61.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 74.21 111.229 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.3 -52.72 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.117 0.484 . . . . 72.14 110.002 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.706 -0.679 . . . . 62.35 109.63 178.688 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 N-CA-C 112.401 -0.28 . . . . 54.11 112.401 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.02 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.691 0.246 . . . . 71.12 111.21 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.75 -21.68 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.133 -0.485 . . . . 60.12 111.418 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.07 -53.23 4.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.366 . . . . 74.44 110.465 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.1 t70 -54.43 -39.93 67.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 73.5 111.668 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.32 -27.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.34 0.496 . . . . 34.43 112.34 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -98.79 -37.58 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.731 -0.388 . . . . 72.11 110.778 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 85.8 m-20 -60.28 -26.3 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 54.04 112.54 -172.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' ASP . 87.3 t -58.98 -48.01 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 63.22 110.631 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.78 -29.62 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 65.31 111.028 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 37.0 t70 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.767 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 115.695 -0.684 . . . . 61.31 111.912 173.626 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 111.606 -0.597 . . . . 54.41 111.606 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.12 67.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.534 -0.333 . . . . 73.45 111.218 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.96 -27.37 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 51.12 110.474 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -86.15 -56.07 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.809 -0.632 . . . . 62.22 110.648 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.29 -44.87 28.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 63.24 112.448 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.62 -31.48 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 73.2 110.811 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.25 -35.39 80.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.426 -0.352 . . . . 73.42 110.829 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' SER . 22.4 t70 -62.16 -33.03 73.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.325 0.584 . . . . 44.21 110.012 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.37 -40.14 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.364 -0.835 . . . . 74.53 110.35 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.29 -48.78 75.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.64 . . . . 72.0 111.062 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -84.9 8.23 18.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 64.14 111.295 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 8.8 t . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 109.771 -0.455 . . . . 51.24 109.771 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.698 0 N-CA-C 111.765 -0.534 . . . . 54.33 111.765 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.74 67.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 65.13 111.337 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.35 -28.89 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 74.12 110.461 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -90.47 -59.82 2.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.227 0.537 . . . . 73.0 109.955 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.6 t70 -56.08 -52.26 64.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.986 -1.006 . . . . 74.23 112.676 -171.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.48 -40.15 77.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.556 -0.293 . . . . 73.43 111.725 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -75.55 -40.64 56.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.984 0.421 . . . . 75.21 110.352 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.16 -36.34 77.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.544 -0.753 . . . . 74.21 111.815 -174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 39' ' ' ASP . 72.9 t -55.71 -47.22 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 63.12 110.846 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.79 -39.22 66.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 62.02 110.462 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.9 -31.06 71.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.343 -0.844 . . . . 62.31 110.952 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 74.42 111.247 -178.106 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 111.945 -0.462 . . . . 55.22 111.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.23 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 70.15 111.553 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.26 -28.98 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 75.55 111.094 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -79.81 -51.0 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.618 -0.265 . . . . 72.44 111.139 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.09 -47.17 75.31 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.521 0.513 . . . . 72.11 111.89 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.19 -29.03 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 71.33 111.229 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HD3' HD21 ' A' ' 44' ' ' LEU . 32.7 mmtp -89.72 -6.14 56.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.648 0.261 . . . . 65.43 111.15 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.8 -38.9 80.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 61.42 110.714 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.05 -44.87 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.523 . . . . 64.54 111.38 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.1 pp -80.31 75.97 7.11 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 122.185 0.993 . . . . 54.12 111.296 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.47 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.463 -1.244 . . . . 61.2 108.453 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 108.423 -0.954 . . . . 74.44 108.423 171.235 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.235 -0.346 . . . . 73.44 112.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.73 66.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 75.35 110.864 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 -53.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.065 -0.516 . . . . 74.32 109.833 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -76.38 -70.98 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.284 -0.871 . . . . 75.21 112.204 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -39.4 80.34 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.289 0.635 . . . . 53.54 112.697 -168.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.86 -44.64 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.449 -0.342 . . . . 61.34 111.853 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.02 -31.41 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.89 -0.324 . . . . 75.2 111.545 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.65 -36.2 66.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 74.23 112.16 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.4 -36.83 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.614 0.245 . . . . 74.33 111.65 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.69 -21.99 15.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 63.02 111.363 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -80.88 -46.37 15.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.543 . . . . 72.54 109.805 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.517 -0.765 . . . . 75.31 109.395 177.401 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 112.436 -0.266 . . . . 44.31 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.8 -25.16 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.849 0.357 . . . . 64.33 110.941 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.28 -42.4 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.174 -0.466 . . . . 62.32 111.01 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -119.07 -66.55 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.689 -0.404 . . . . 71.14 111.783 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -54.42 -46.35 73.19 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.473 0.545 . . . . 74.5 112.473 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.37 -34.83 69.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.955 0.407 . . . . 74.51 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -13.74 60.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.323 -0.399 . . . . 71.53 111.074 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -81.8 -28.49 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.744 -0.465 . . . . 61.14 109.744 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.26 -23.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 62.45 110.502 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.73 -28.53 61.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.145 -0.479 . . . . 60.11 111.065 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.63 -25.81 68.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 74.35 111.064 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.404 -0.362 . . . . 73.24 111.549 -177.75 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.072 -0.411 . . . . 74.24 112.072 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . . . -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.843 0.312 . . . . 54.0 111.843 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 95.1 t -55.51 -43.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 123.145 0.278 . . . . 54.1 110.816 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -89.4 -16.29 31.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.982 -0.287 . . . . 75.31 110.938 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 17.1 t70 -73.21 -60.32 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 73.53 110.546 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 36' ' ' ALA . 13.8 p -66.76 -23.07 30.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.368 0.604 . . . . 71.54 110.338 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 1.4 tppp? -61.98 -38.18 87.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.762 . . . . 75.31 110.513 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.66 -33.5 47.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 75.11 110.3 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 39' ' ' ASP . 94.9 t -58.27 -41.99 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.4 -0.363 . . . . 61.04 111.04 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.82 -11.71 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.59 -0.277 . . . . 71.45 111.579 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.31 -47.3 5.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.362 -0.236 . . . . 72.3 110.362 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.463 0.209 0 C-N-CA 123.672 0.789 . . . . 51.11 112.602 174.217 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 111.883 -0.487 . . . . 32.23 111.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.148 0.425 . . . . 63.25 112.148 -175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.55 -45.47 98.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.715 0.293 . . . . 64.43 110.872 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.11 -38.11 81.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.075 -0.342 . . . . 73.13 110.075 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 43' ' ' VAL . 11.5 t70 -59.21 -59.78 4.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 61.12 110.964 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.95 -43.67 85.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 73.22 111.06 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 tmtm? -60.1 -46.12 90.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 53.41 110.659 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.04 -42.02 98.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 61.44 110.695 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.8 t -65.77 -42.88 93.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.715 -0.675 . . . . 73.34 111.342 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 4.6 pp -72.1 -23.09 61.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.675 -0.41 . . . . 62.52 111.881 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -91.25 -13.36 32.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.262 -0.575 . . . . 62.11 110.061 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.652 -0.704 . . . . 74.11 110.043 178.065 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 N-CA-C 112.603 -0.199 . . . . 44.1 112.603 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -24.19 50.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.687 0.254 . . . . 55.43 111.687 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 58.6 t -55.64 -34.55 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 64.21 111.197 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.35 -44.15 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 73.1 110.68 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.34 -42.56 99.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.908 -0.587 . . . . 70.02 111.688 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.53 -27.51 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.818 0.342 . . . . 73.54 110.559 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 50.6 tptt -59.32 -34.38 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.87 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.41 -25.63 64.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.27 -50.55 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.521 . . . . 54.24 111.253 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -82.04 -7.7 59.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.965 0.412 . . . . 53.24 110.44 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.01 -58.8 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.508 . . . . 64.01 109.915 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.447 -0.604 0 CA-C-N 115.915 -0.584 . . . . 55.51 109.784 177.35 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 110.847 -0.901 . . . . 63.23 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.3 2.39 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.207 0.447 . . . . 64.41 112.207 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.44 -32.55 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.021 0.438 . . . . 64.44 111.121 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -75.37 -68.15 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 62.22 111.051 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 75.12 112.253 -170.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.0 t -57.0 -46.43 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.481 0.181 . . . . 65.12 111.355 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -75.34 -26.31 58.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.913 0.387 . . . . 71.31 110.763 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -76.6 -38.01 55.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.043 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' ASP . 99.4 t -66.79 -38.49 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 44.32 111.39 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 pp -97.01 23.08 7.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.721 0.296 . . . . 71.41 111.335 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.91 -48.86 62.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 64.53 111.113 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.553 0.692 . . . . 74.25 110.961 -177.24 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 112.537 -0.225 . . . . 71.22 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.24 -55.88 14.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.694 0.283 . . . . 44.42 110.599 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.5 -35.11 57.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.329 0.585 . . . . 71.32 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.93 -45.06 83.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.44 -0.8 . . . . 72.55 110.607 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 41' ' ' LYS . 30.2 t70 -63.83 -39.47 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.23 111.506 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 36' ' ' ALA . 14.3 t -75.99 26.88 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.877 0.846 . . . . 63.44 110.611 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 58.0 tttm -150.19 -42.01 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.807 -0.812 . . . . 73.42 108.807 172.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.75 -47.24 64.17 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.342 -0.845 . . . . 72.2 111.395 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -91.63 -10.84 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.39 0.614 . . . . 71.14 110.395 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . 55.7 tp -83.07 -39.61 20.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.505 . . . . 71.44 111.406 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 63.9 m-20 -72.0 -17.13 62.07 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.938 0.399 . . . . 72.35 110.537 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.449 -0.507 0 CA-C-N 115.807 -0.633 . . . . 73.5 110.928 -178.221 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 111.505 -0.638 . . . . 51.51 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -19.02 57.58 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.901 0.334 . . . . 63.42 111.901 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.34 -35.09 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.32 -0.4 . . . . 62.4 110.701 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -91.18 -43.81 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 75.12 109.68 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.8 t70 -65.7 -50.06 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.93 -1.032 . . . . 74.41 112.411 -169.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 88.8 t -62.33 -36.04 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 64.0 111.214 -175.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.36 -23.53 66.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.802 0.334 . . . . 45.33 110.824 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 -40.63 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.034 0.445 . . . . 75.51 109.975 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 39' ' ' ASP . 48.1 t -63.9 -41.78 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.562 -0.744 . . . . 65.34 111.232 -178.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 pp -79.63 2.43 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.034 0.445 . . . . 61.22 111.288 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -108.7 13.15 25.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.742 0.782 . . . . 74.15 109.966 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.312 -179.548 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 CA-C-O 119.631 -0.538 . . . . 53.33 114.292 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -60.72 2.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.008 0.404 . . . . 52.21 111.843 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 t -94.76 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.307 0.575 . . . . 64.43 110.159 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 33.4 t-80 -168.89 -53.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.685 -0.689 . . . . 74.5 110.293 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.6 t70 -74.44 -55.66 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.475 -0.329 . . . . 74.25 110.218 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 t -56.58 -29.73 30.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 70.14 110.356 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' HIS . 7.3 tmtm? -54.28 -48.37 71.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.526 -0.761 . . . . 74.13 110.701 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.08 -31.36 50.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 61.23 110.655 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' ASP . 60.6 t -63.31 -39.1 84.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.113 -0.494 . . . . 61.52 110.359 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.5 tp -68.32 -37.19 80.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.751 -0.658 . . . . 61.45 110.622 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -65.24 -57.0 9.59 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.987 0.422 . . . . 73.45 109.938 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.029 -0.987 . . . . 71.04 111.149 -179.773 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 120.106 -0.275 . . . . 61.4 113.678 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -45.18 -51.85 10.07 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.644 0.609 . . . . 55.22 112.644 -175.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.61 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.046 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -63.41 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 75.22 110.303 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.25 -43.36 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 65.53 111.569 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 36' ' ' ALA . 93.8 t -58.82 -42.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 72.54 110.498 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.721 ' HD2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -70.39 -40.62 73.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 72.33 109.695 178.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.24 -44.39 95.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.699 -0.682 . . . . 74.02 112.184 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.18 -46.07 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.689 0.28 . . . . 72.43 111.449 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.8 tp -70.66 -64.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 60.53 110.874 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.721 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . 29.2 t70 -83.11 82.05 8.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.703 0.763 . . . . 73.41 109.945 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.412 -1.267 . . . . 70.34 109.275 -179.793 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.301 -0.166 . . . . 73.55 112.781 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.15 -44.42 61.42 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.411 0.523 . . . . 70.01 112.411 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -25.25 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.635 -0.257 . . . . 64.42 111.68 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -71.83 -40.42 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 74.25 110.408 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.4 -42.56 35.82 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.07 -0.513 . . . . 71.25 110.391 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 36' ' ' ALA . 75.7 t -58.57 -40.92 80.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 55.31 110.729 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -52.32 -51.31 59.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.333 -0.394 . . . . 73.13 110.707 179.395 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.22 -49.78 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.848 -0.615 . . . . 73.53 111.761 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.13 -45.99 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.378 -0.374 . . . . 73.42 111.468 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.97 -32.36 74.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 71.3 111.053 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -78.33 -26.89 46.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 73.25 110.694 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.315 -0.402 . . . . 71.11 110.395 -178.015 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 112.346 -0.302 . . . . 35.52 112.346 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.39 -0.7 26.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.703 0.287 . . . . 74.12 111.54 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.69 -22.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 75.5 111.045 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.3 -40.69 43.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.908 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.0 -30.92 65.72 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.593 0.59 . . . . 75.51 112.593 -173.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.94 -43.75 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.758 -0.377 . . . . 72.14 110.572 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -70.3 -42.61 71.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 74.13 110.425 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.59 -46.82 88.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.656 -0.702 . . . . 72.42 111.434 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.18 -50.41 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 75.4 111.675 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 45' ' ' ASP . 4.4 pp -64.56 -25.63 68.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.815 0.341 . . . . 75.45 111.443 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 -20.16 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.354 -0.385 . . . . 75.33 110.641 -178.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 71.11 111.289 -178.064 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 111.836 -0.506 . . . . 73.4 111.836 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.53 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.744 0.307 . . . . 74.11 110.292 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.95 -43.85 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 61.21 110.983 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -71.86 -67.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 75.33 111.763 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -34.11 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -166.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.49 -40.64 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 74.21 110.009 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -95.66 33.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.634 0.73 . . . . 62.21 109.547 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.54 -58.15 1.34 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.381 -0.827 . . . . 65.13 109.886 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.33 -61.76 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.35 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 15.31 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.38 0.61 . . . . 74.41 110.969 -178.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.75 -11.14 20.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.614 -1.176 . . . . 74.51 111.444 177.131 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.336 -0.146 . . . . 71.32 113.242 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.34 79.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.239 0.542 . . . . 74.23 109.618 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.43 -27.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.71 -0.677 . . . . 62.42 110.013 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 25.7 t60 -61.93 -39.59 92.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.58 -0.736 . . . . 72.22 110.349 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.25 -42.12 60.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 74.21 110.844 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.66 -33.45 63.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.017 -0.538 . . . . 61.22 110.699 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -54.97 -42.27 72.17 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.709 -0.678 . . . . 73.11 111.033 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.82 -52.23 43.22 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.514 0.509 . . . . 64.14 112.162 -174.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.33 -45.58 82.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 64.34 111.01 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 tp -70.63 -31.78 68.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 65.43 111.718 -174.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -75.62 -37.34 59.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.44 . . . . 72.32 111.366 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 75.12 111.857 -174.802 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.942 0 N-CA-C 111.097 -0.801 . . . . 74.03 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.56 63.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.803 0.335 . . . . 22.41 111.281 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 t -64.3 -23.0 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.325 0.583 . . . . 71.0 110.676 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -98.52 -48.98 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 74.34 110.196 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.01 -35.58 66.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.012 -0.54 . . . . 53.0 112.298 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 41' ' ' LYS . 14.7 p -56.42 -33.4 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.689 0.28 . . . . 70.33 111.264 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG3' HG13 ' A' ' 40' ' ' VAL . 54.2 mtmt -100.63 -25.22 14.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.863 0.363 . . . . 65.2 110.694 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.94 -47.86 73.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 64.13 110.53 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.05 -35.02 69.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 65.44 110.392 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.75 -33.38 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 61.54 110.742 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.78 -28.41 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 62.22 110.765 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 60.14 111.019 179.378 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 121.162 0.506 . . . . 45.51 110.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -129.97 94.09 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.211 -0.45 . . . . 33.33 110.039 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.59 -46.27 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 71.43 111.441 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -127.83 -171.26 2.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.312 -0.255 . . . . 52.32 110.312 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 5.6 pt-20 -52.57 -43.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 73.42 111.215 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HG3' ' HG3' ' A' ' 5' ' ' GLU . 61.2 mttp -84.93 11.91 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 62.01 110.847 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.29 62.37 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.288 -0.725 . . . . 64.04 111.288 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -87.48 146.96 25.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.097 -0.334 . . . . 53.24 110.097 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -83.75 -34.34 24.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.178 -0.465 . . . . 72.05 110.993 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.85 -3.27 63.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.055 -0.593 . . . . 55.03 112.424 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.11 67.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 52.54 111.316 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -2.17 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.959 0.409 . . . . 71.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -117.97 -45.77 2.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.437 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.1 -54.06 5.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.143 0.794 . . . . 75.12 113.143 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.91 -1.0 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.99 0.424 . . . . 73.21 111.811 -170.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.576 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -128.67 53.11 0.81 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.426 -0.893 . . . . 70.2 112.334 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.7 -46.3 84.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.306 -0.473 . . . . 73.43 113.272 -177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -69.75 -26.57 64.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.027 0.441 . . . . 72.23 110.92 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.61 0.38 65.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.821 -0.704 . . . . 74.15 112.21 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -86.75 56.83 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.4 0.619 . . . . 75.11 110.181 -176.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -138.78 74.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.546 -0.752 . . . . 70.31 109.359 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.66 -30.93 3.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.86 -0.686 . . . . 71.44 111.973 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 17.6 ptmt -79.24 -21.29 46.39 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.591 -0.522 . . . . 74.22 109.591 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -71.01 106.62 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.245 -0.889 . . . . 62.34 110.064 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.84 -50.47 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.329 -0.85 . . . . 55.44 110.517 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.0 -36.36 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 40.24 109.223 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 22.5 mp0 -57.91 -42.05 83.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.735 -1.121 . . . . 72.23 110.181 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.21 -52.35 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 75.53 111.494 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD12 ' HG2' ' A' ' 30' ' ' GLU . 2.8 pp -81.25 -26.47 35.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.381 0.512 . . . . 73.32 112.381 -174.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HG2' HD12 ' A' ' 29' ' ' LEU . 20.3 mm-40 -79.62 -28.43 40.95 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.716 -0.393 . . . . 74.55 111.074 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -63.05 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.998 -0.371 . . . . 73.25 109.998 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.684 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 48.1 t -62.53 -49.28 84.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.147 -0.479 . . . . 65.13 110.561 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.0 85.23 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.109 -0.567 . . . . 55.22 112.46 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -87.02 14.12 8.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.226 . . . . 55.32 111.065 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.53 81.27 1.42 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.855 -0.688 . . . . 73.25 112.325 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.684 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . . . -58.71 -24.21 61.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.798 0.332 . . . . 54.33 111.157 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.91 -48.24 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.791 -0.641 . . . . 71.32 110.412 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -66.14 -36.42 83.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.963 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.0 t70 -60.15 -56.89 16.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.285 . . . . 62.23 110.564 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 8.2 p -67.46 -38.05 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.415 -0.357 . . . . 63.35 110.837 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -62.21 -45.92 91.19 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.453 -0.339 . . . . 62.44 111.062 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.82 -37.09 76.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.999 -0.546 . . . . 74.53 111.164 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.4 t -66.73 -36.55 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.002 0.43 . . . . 53.04 110.702 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 97.1 mt -73.24 -16.39 61.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 74.21 111.229 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.3 -52.72 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.117 0.484 . . . . 72.14 110.002 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.0 t -92.36 77.59 5.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.706 -0.679 . . . . 62.35 109.63 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.3 134.08 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.765 -0.652 . . . . 71.34 110.423 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.522 -0.752 . . . . 45.55 109.876 176.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.783 0.325 . . . . 74.43 110.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -169.84 -162.89 0.34 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.208 -0.664 . . . . 70.13 109.208 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' O ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 pp -102.07 11.69 38.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 72.01 110.334 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 tt -92.64 -58.04 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 52.11 110.378 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.749 ' HG2' ' HG3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -80.95 -35.76 31.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.31 111.006 -173.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.749 ' HG3' ' HG2' ' A' ' 5' ' ' GLU . 55.1 mtpt -110.91 -10.37 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 70.51 110.842 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -79.71 -55.45 3.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.367 -0.921 . . . . 52.42 111.854 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 8' ' ' LEU . 4.0 mm? -83.51 110.35 18.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.914 0.388 . . . . 74.21 110.619 178.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.9 -12.72 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.27 0.557 . . . . 75.33 109.899 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.82 -24.38 57.53 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.547 -0.751 . . . . 62.55 112.283 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.05 -24.14 65.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 52.31 110.691 176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -91.01 -39.74 12.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 41.24 109.364 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -65.89 -20.96 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.53 -0.759 . . . . 73.02 110.734 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.88 67.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 53.2 110.843 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.79 -52.97 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.052 -0.522 . . . . 72.22 109.66 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.66 38.88 2.13 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.817 -0.629 . . . . 62.31 112.601 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.78 -47.53 0.36 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.082 -0.58 . . . . 61.43 111.748 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.7 pt? -101.5 -5.84 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.871 0.367 . . . . 75.5 110.287 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 23' ' ' LYS . . . -64.73 -51.67 49.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.096 -0.573 . . . . 34.33 112.23 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.19 120.89 10.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.052 0.453 . . . . 74.44 111.03 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.561 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . 93.9 mt 72.97 -29.47 0.2 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.474 -0.785 . . . . 70.21 111.849 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' LYS . . . -66.54 -43.63 91.84 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.324 -0.465 . . . . 40.31 112.382 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -94.32 -15.21 24.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.953 0.406 . . . . 52.24 110.493 177.604 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.561 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 30.2 m-20 -72.21 -1.02 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 71.05 111.832 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.21 70.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.931 0.396 . . . . 40.23 110.554 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG22 ' HG2' ' A' ' 30' ' ' GLU . 8.9 p -81.58 -17.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 74.55 110.517 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 24' ' ' ASP . 5.0 mm-40 -68.23 -11.41 59.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.804 -0.634 . . . . 72.34 110.603 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.18 -27.59 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.633 -0.712 . . . . 74.52 110.653 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 tp -102.62 -39.47 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 35.13 110.985 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HG2' HG22 ' A' ' 26' ' ' VAL . 68.7 mm-40 -79.33 9.92 4.22 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.913 0.338 . . . . 73.4 111.913 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -69.84 -31.47 69.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.059 0.457 . . . . 72.02 110.278 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.09 -10.03 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 31.44 111.022 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.78 77.26 1.09 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.668 -0.777 . . . . 72.22 111.536 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.97 -66.73 0.88 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.979 0.419 . . . . 64.4 110.136 -175.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.77 -26.55 5.52 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.831 -0.7 . . . . 54.11 112.401 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.02 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.691 0.246 . . . . 71.12 111.21 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.75 -21.68 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.133 -0.485 . . . . 60.12 111.418 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -93.07 -53.23 4.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.366 . . . . 74.44 110.465 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.1 t70 -54.43 -39.93 67.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 73.5 111.668 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.32 -27.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.34 0.496 . . . . 34.43 112.34 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -98.79 -37.58 9.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.731 -0.388 . . . . 72.11 110.778 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 85.8 m-20 -60.28 -26.3 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 54.04 112.54 -172.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' ASP . 87.3 t -58.98 -48.01 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 63.22 110.631 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.78 -29.62 18.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 65.31 111.028 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 37.0 t70 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.767 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t 67.35 24.26 9.01 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.695 -0.684 . . . . 61.31 111.912 173.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.66 122.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.49 0.662 . . . . 61.12 110.467 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' OXT' HD12 ' A' ' 48' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.408 -0.806 . . . . 64.24 109.746 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.042 -0.355 . . . . 74.45 110.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 t -95.01 118.72 32.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.013 0.435 . . . . 51.03 110.311 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 HD22 ' A' ' 4' ' ' LEU . 4.5 pp -86.74 -3.94 59.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.164 0.507 . . . . 75.42 109.801 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD22 HD12 ' A' ' 3' ' ' LEU . 3.9 mm? -76.65 -61.52 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 75.53 110.612 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.769 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 10.5 pt-20 -73.05 -39.76 65.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 74.53 111.871 -175.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.769 ' HG3' ' HG3' ' A' ' 5' ' ' GLU . 66.1 mttm -96.78 -20.5 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.731 0.3 . . . . 71.33 111.653 -173.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.8 -76.23 1.23 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.454 -0.879 . . . . 75.32 112.134 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 1.6 tm? -62.96 -59.31 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.542 0.21 . . . . 74.33 111.04 -175.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.95 -41.55 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.433 -0.348 . . . . 74.13 110.843 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -37.42 94.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.152 -0.547 . . . . 72.44 112.088 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.41 -23.31 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.716 0.293 . . . . 61.43 111.163 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 29.5 mmmt -85.19 -16.96 38.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 74.31 110.172 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 40.76 37.79 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.249 1.02 . . . . 73.03 112.49 -176.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.42 -46.46 55.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 74.23 110.325 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.83 -18.23 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 70.4 110.453 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.9 46.03 2.69 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.032 -0.604 . . . . 54.22 112.464 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.68 20.68 49.69 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 70.13 111.956 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 20' ' ' LYS . 1.4 pp -154.28 -162.65 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.322 -0.621 . . . . 71.53 109.322 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.97 80.64 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.897 -0.668 . . . . 64.22 111.811 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.825 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -127.16 164.98 20.44 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.569 -0.53 . . . . 73.41 109.569 -175.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.0 28.33 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 64.35 111.87 -171.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -109.8 -1.03 30.49 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.508 -1.037 . . . . 45.31 110.508 171.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 16.3 mmmt -106.24 -24.59 12.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.126 -0.537 . . . . 54.33 111.536 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' HA ' ' CG ' ' A' ' 27' ' ' GLU . 10.9 p-10 -72.39 9.25 1.08 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.746 0.647 . . . . 73.1 112.746 -169.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -107.42 -13.58 15.06 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 122.197 -0.314 . . . . 75.14 111.128 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.02 -10.64 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 120.837 0.351 . . . . 71.24 111.654 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -67.31 -8.77 34.84 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.314 0.487 . . . . 63.14 112.314 -176.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.28 -25.94 60.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 71.12 110.829 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.73 -44.74 6.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 74.23 111.263 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 15.5 pt-20 -76.3 -18.56 58.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.025 0.38 . . . . 73.13 112.025 -173.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 p -65.95 -35.24 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.669 -0.493 . . . . 74.54 109.669 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.25 -31.98 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.341 -0.845 . . . . 52.42 110.155 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.11 21.19 5.11 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.992 -0.549 . . . . 55.13 111.953 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 1.2 tppp? 65.75 19.54 11.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.645 0.778 . . . . 75.34 111.133 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.88 -9.71 79.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 54.41 111.606 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.12 67.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.534 -0.333 . . . . 73.45 111.218 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.96 -27.37 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.177 0.513 . . . . 51.12 110.474 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -86.15 -56.07 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.809 -0.632 . . . . 62.22 110.648 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.29 -44.87 28.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 63.24 112.448 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.62 -31.48 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 73.2 110.811 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.25 -35.39 80.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.426 -0.352 . . . . 73.42 110.829 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' SER . 22.4 t70 -62.16 -33.03 73.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.325 0.584 . . . . 44.21 110.012 177.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.37 -40.14 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.364 -0.835 . . . . 74.53 110.35 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 tp -56.29 -48.78 75.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.64 . . . . 72.0 111.062 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -84.9 8.23 18.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 64.14 111.295 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 8.8 t -99.18 -29.2 12.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.771 -0.455 . . . . 51.24 109.771 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -78.81 104.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 55.42 110.297 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--O 1.249 1.035 0 N-CA-C 108.646 -0.872 . . . . 71.21 108.646 179.54 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.98 0.419 . . . . 74.14 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -99.19 151.96 20.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.712 -0.477 . . . . 34.21 109.712 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 81.7 mt -92.61 -42.45 9.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.746 0.308 . . . . 71.3 110.948 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 22.6 tp -176.3 -178.03 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.604 -0.888 . . . . 53.53 108.604 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.643 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 9.4 pt-20 -63.31 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.329 0.585 . . . . 71.54 110.008 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HG2' ' HA3' ' A' ' 19' ' ' GLY . 14.6 tmtt? -79.11 -29.39 43.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.149 -0.685 . . . . 75.4 109.149 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 3' ' ' LEU . . . -93.78 41.11 2.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.618 -0.719 . . . . 72.03 111.629 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -97.49 35.39 1.65 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.549 0.69 . . . . 73.21 109.418 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' HB2' ' HA2' ' A' ' 16' ' ' GLY . 11.3 t70 -49.3 -56.5 9.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.538 -1.21 . . . . 62.24 111.629 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.06 -76.83 0.26 Allowed Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.615 -0.803 . . . . 43.2 112.098 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.12 22.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.144 0.424 . . . . 73.32 112.144 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -22.11 11.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.006 -0.678 . . . . 72.44 110.731 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptm 61.54 37.55 16.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.588 0.709 . . . . 61.41 110.375 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.91 42.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.492 -0.776 . . . . 72.2 110.391 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 15' ' ' VAL . 15.4 t 64.29 15.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.814 0.816 . . . . 54.2 110.171 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' A' ' 9' ' ' ASP . . . 80.5 78.7 0.91 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.025 -0.83 . . . . 72.03 111.025 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.72 -22.24 59.32 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 114.031 0.373 . . . . 71.03 114.031 -173.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.88 -1.01 37.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.806 0.336 . . . . 72.34 111.124 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.55 ' HA3' ' HG2' ' A' ' 6' ' ' LYS . . . -134.88 -47.35 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.804 -0.712 . . . . 61.41 112.172 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HE3' ' HB3' ' A' ' 20' ' ' LYS . 29.4 mtpp 52.02 -83.62 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.624 0.972 . . . . 71.01 113.624 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 22' ' ' GLY . 4.3 pp -46.11 -33.41 3.5 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.56 0.948 . . . . 54.1 113.56 -168.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -79.81 39.53 2.2 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.837 -0.697 . . . . 71.11 112.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? 173.16 -41.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.493 0.717 . . . . 71.13 109.122 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.81 -46.7 84.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.981 -0.554 . . . . 71.53 110.966 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -31.55 72.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 75.43 110.916 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.44 -40.19 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 72.32 109.93 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -58.36 -42.4 86.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.906 -0.588 . . . . 74.32 109.825 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.72 -42.62 84.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.662 -0.699 . . . . 64.25 110.519 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 tp -71.2 -40.01 71.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 75.21 110.519 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.46 -0.72 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.321 -0.399 . . . . 62.34 111.178 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.8 m -79.62 -48.63 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.989 -0.375 . . . . 72.2 109.989 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.5 m -74.31 -22.96 18.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.842 0.353 . . . . 73.34 110.771 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.25 -10.0 61.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 43.24 111.557 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 60.31 21.3 10.79 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.167 0.587 . . . . 75.44 111.844 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.24 -27.11 62.47 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.131 -0.557 . . . . 54.33 111.765 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.74 67.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 65.13 111.337 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.35 -28.89 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 74.12 110.461 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -90.47 -59.82 2.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.227 0.537 . . . . 73.0 109.955 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.6 t70 -56.08 -52.26 64.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.986 -1.006 . . . . 74.23 112.676 -171.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.6 t -58.48 -40.15 77.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.556 -0.293 . . . . 73.43 111.725 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -75.55 -40.64 56.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.984 0.421 . . . . 75.21 110.352 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.16 -36.34 77.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.544 -0.753 . . . . 74.21 111.815 -174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 39' ' ' ASP . 72.9 t -55.71 -47.22 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 63.12 110.846 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . 94.8 mt -72.79 -39.22 66.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 62.02 110.462 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.9 -31.06 71.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.343 -0.844 . . . . 62.31 110.952 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.29 -39.59 20.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 74.42 111.247 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.72 HG13 ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -78.58 -27.12 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 112.067 0.395 . . . . 70.11 112.067 -174.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.72 ' HG ' HG13 ' A' ' 47' ' ' VAL . 92.6 mt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.8 -0.619 . . . . 64.52 110.645 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.239 -0.282 . . . . 65.35 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -69.52 104.5 2.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.25 0.547 . . . . 72.33 110.721 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.45 155.88 39.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.189 -0.914 . . . . 71.13 109.489 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 4' ' ' LEU . 3.3 mm? -53.36 -49.92 66.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.225 -0.443 . . . . 73.02 111.595 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.41 -63.04 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.632 -0.258 . . . . 73.44 111.628 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -68.01 -33.25 74.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.122 0.416 . . . . 74.51 112.122 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.99 -37.48 22.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.725 -0.75 . . . . 64.4 113.5 -174.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -97.16 -49.16 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.984 0.392 . . . . 75.3 110.888 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 21.5 t70 -89.33 -53.95 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.831 -0.348 . . . . 64.42 111.356 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.67 -29.16 69.25 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.293 -0.412 . . . . 62.11 113.43 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -8.83 54.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 72.32 111.593 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 34.0 mtmm -84.22 4.59 30.06 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.789 0.292 . . . . 65.4 111.789 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -53.86 -50.31 66.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.056 0.455 . . . . 72.51 111.137 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 -14.03 50.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.926 -0.579 . . . . 63.12 111.06 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.2 t -83.71 -56.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.767 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.69 50.88 0.86 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.853 -0.689 . . . . 30.13 111.999 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' HA2' ' HB3' ' A' ' 23' ' ' LYS . . . -114.59 -57.93 0.37 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.771 -0.728 . . . . 64.43 112.377 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.5 pt? -60.84 -26.72 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.939 0.348 . . . . 61.35 111.939 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 26.45 16.68 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 55.45 112.352 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -144.32 112.72 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.058 -0.349 . . . . 74.32 110.058 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.93 -41.62 92.2 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.48 -0.327 . . . . 73.51 111.454 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.76 -4.48 33.43 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.16 -0.543 . . . . 63.14 113.096 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.612 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -112.35 -48.63 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.895 0.379 . . . . 71.24 110.192 178.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.22 -37.89 81.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.87 -0.605 . . . . 64.11 111.653 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.42 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.425 0.528 . . . . 54.42 112.425 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 23' ' ' LYS . 8.4 p -77.62 -26.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.501 -0.48 . . . . 71.43 110.649 -176.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 37.1 mt-10 -75.45 -14.29 60.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.346 -0.388 . . . . 72.32 110.892 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.56 -40.56 83.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 65.03 110.914 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.89 -44.67 63.35 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.865 -0.607 . . . . 40.44 111.493 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 9.6 pt-20 -72.56 -32.0 65.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.493 -0.321 . . . . 71.45 111.529 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -69.88 -48.15 59.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.542 0.21 . . . . 63.34 111.305 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.19 -22.46 31.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 62.12 111.329 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.86 12.56 56.26 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.64 -0.79 . . . . 71.54 112.825 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 64.97 8.19 4.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.035 0.534 . . . . 73.24 112.102 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.22 -28.12 60.72 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.902 -0.666 . . . . 55.22 111.945 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.23 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 70.15 111.553 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.26 -28.98 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 75.55 111.094 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -79.81 -51.0 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.618 -0.265 . . . . 72.44 111.139 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.09 -47.17 75.31 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.521 0.513 . . . . 72.11 111.89 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.19 -29.03 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 71.33 111.229 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HD3' HD21 ' A' ' 44' ' ' LEU . 32.7 mmtp -89.72 -6.14 56.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.648 0.261 . . . . 65.43 111.15 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.8 -38.9 80.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 61.42 110.714 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.05 -44.87 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.523 . . . . 64.54 111.38 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.1 pp -80.31 75.97 7.11 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 122.185 0.993 . . . . 54.12 111.296 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -164.47 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.463 -1.244 . . . . 61.2 108.453 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t -84.77 -46.5 11.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.423 -0.954 . . . . 74.44 108.423 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.9 t -99.19 94.33 3.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 72.12 109.415 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.507 -0.759 . . . . 63.13 110.329 -176.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.056 -0.35 . . . . 73.54 110.056 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.644 ' HA ' HD13 ' A' ' 8' ' ' LEU . 22.9 t -178.82 126.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.32 110.583 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.96 -38.92 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.78 -0.822 . . . . 54.15 108.78 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' HG ' ' OE1' ' A' ' 5' ' ' GLU . 17.3 tp -168.45 167.36 11.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.643 -1.243 . . . . 73.45 107.643 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' OE1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.71 -52.06 51.32 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.376 0.51 . . . . 73.44 112.376 -173.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -110.73 1.56 17.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 74.22 110.099 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' HA3' ' HB3' ' A' ' 4' ' ' LEU . . . -74.26 -30.93 59.98 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.661 -0.7 . . . . 43.45 111.693 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 2' ' ' SER . 51.0 tp -62.24 -47.11 85.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 75.05 110.365 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.68 -25.07 58.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.359 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.56 -33.29 81.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.913 -0.66 . . . . 72.33 112.031 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.34 68.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 72.55 110.805 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.83 -26.15 56.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.399 . . . . 63.32 110.263 177.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -76.92 -14.25 59.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 55.22 111.417 -175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -35.12 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.546 0.688 . . . . 63.31 109.814 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -126.83 60.36 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.011 -0.995 . . . . 73.31 109.149 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.6 19.98 1.84 Allowed Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.244 -0.889 . . . . 60.4 114.488 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.31 -67.73 1.85 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.729 -0.748 . . . . 73.32 111.651 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 51.6 -97.21 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.266 0.626 . . . . 55.04 111.645 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.05 12.75 11.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.776 -0.726 . . . . 75.44 112.551 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.93 41.59 0.44 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.882 0.372 . . . . 74.13 110.831 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.39 -18.65 64.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 72.31 111.235 -176.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.02 -26.87 69.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.064 -0.588 . . . . 63.2 112.325 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.695 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -118.45 -33.43 4.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.643 0.258 . . . . 73.51 111.055 176.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.695 ' N ' ' HD3' ' A' ' 23' ' ' LYS . 22.3 t70 -64.12 -38.52 91.37 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.01 0.433 . . . . 61.43 111.206 -174.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.31 -29.19 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 72.13 110.665 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.76 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 54.55 110.628 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -55.77 -57.15 13.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.012 0.434 . . . . 75.5 110.459 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.73 -44.75 96.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 74.4 112.302 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 30' ' ' GLU . 4.7 pp -64.9 -31.06 72.11 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.923 0.342 . . . . 51.34 111.923 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.22 -22.66 23.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.367 -0.533 . . . . 73.33 110.503 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 66.9 m -74.22 -15.1 61.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.868 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.86 -40.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.183 0.515 . . . . 63.01 109.951 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.67 0.07 88.62 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.757 -0.656 . . . . 51.31 112.438 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -80.34 -16.06 55.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.103 0.478 . . . . 74.52 109.8 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.21 -24.71 67.55 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.657 -0.702 . . . . 73.44 112.235 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -21.73 66.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 75.35 110.864 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 -53.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.065 -0.516 . . . . 74.32 109.833 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -76.38 -70.98 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.284 -0.871 . . . . 75.21 112.204 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -39.4 80.34 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.289 0.635 . . . . 53.54 112.697 -168.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.86 -44.64 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.449 -0.342 . . . . 61.34 111.853 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.02 -31.41 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.89 -0.324 . . . . 75.2 111.545 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.65 -36.2 66.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 74.23 112.16 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.4 -36.83 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.614 0.245 . . . . 74.33 111.65 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.69 -21.99 15.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 63.02 111.363 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -80.88 -46.37 15.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.543 . . . . 72.54 109.805 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -99.82 50.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.517 -0.765 . . . . 75.31 109.395 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.41 137.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 75.44 111.18 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' OXT' HD12 ' A' ' 48' ' ' LEU . 2.7 pp . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.294 -0.86 . . . . 63.44 110.351 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.877 0.37 . . . . 65.1 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -96.88 113.96 25.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.155 0.503 . . . . 73.2 111.712 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.9 mt -90.4 76.91 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.527 -0.546 . . . . 71.13 109.527 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.9 tp -87.22 -50.1 6.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 75.25 110.784 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.555 ' OE2' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -88.39 12.11 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.342 0.591 . . . . 73.45 111.49 -174.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HG2' ' OE2' ' A' ' 5' ' ' GLU . 39.9 mmtm -112.27 -14.1 13.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.721 -0.672 . . . . 74.44 109.912 171.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.14 86.05 1.27 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.643 -0.708 . . . . 52.31 111.927 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 9' ' ' ASP . 1.9 tm? -53.93 132.87 42.82 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.809 -0.812 . . . . 71.34 108.809 175.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' N ' HD13 ' A' ' 8' ' ' LEU . 3.2 p-10 -51.75 -36.73 48.35 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.599 0.592 . . . . 73.51 112.599 -169.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -63.06 -40.58 99.42 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.006 -0.616 . . . . 71.14 112.306 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.87 51.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.083 0.468 . . . . 70.42 110.778 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -65.17 -35.62 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.377 0.608 . . . . 75.43 109.488 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.857 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -70.27 -25.52 63.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.063 -0.971 . . . . 73.24 110.415 179.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.86 -8.61 56.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 71.1 110.361 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 43.2 t -101.41 -57.41 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.441 -0.799 . . . . 73.13 108.868 172.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.74 5.27 44.62 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.441 -0.8 . . . . 62.2 113.269 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 15' ' ' VAL . . . 67.64 -98.59 0.48 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.232 -0.747 . . . . 74.14 111.232 -177.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.7 pt? -86.85 -9.23 56.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.671 0.272 . . . . 62.15 110.406 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.25 -53.86 42.78 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.04 -0.527 . . . . 44.22 112.183 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.83 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 9.0 mmpt? -85.34 -30.26 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.205 -0.295 . . . . 72.44 110.205 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 20' ' ' LYS . 2.9 pp 56.12 -60.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.353 1.461 . . . . 41.21 113.279 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . -81.43 43.26 2.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.355 -0.45 . . . . 40.34 112.394 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' VAL . 17.2 tttp -130.25 7.86 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.776 -0.824 . . . . 74.43 108.776 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.91 -28.57 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.737 -1.12 . . . . 75.21 111.966 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 75.11 112.045 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.98 -46.38 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.066 -0.346 . . . . 64.44 110.066 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.25 53.6 2.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.944 0.878 . . . . 70.42 110.531 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -157.0 -40.93 0.07 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.174 -1.376 . . . . 73.04 108.659 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.39 -34.15 77.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.876 -1.056 . . . . 71.33 110.942 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -31.4 29.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.517 -0.31 . . . . 61.25 110.954 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -66.03 -46.64 77.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.118 -0.492 . . . . 72.23 110.711 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 34' ' ' LYS . 7.8 p -73.53 -13.29 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 121.546 0.689 . . . . 52.11 110.215 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 37' ' ' VAL . . . 89.36 -12.73 65.73 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.824 -0.625 . . . . 73.43 113.218 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.523 ' H ' HG13 ' A' ' 32' ' ' VAL . 4.7 tmtp? -59.69 -39.5 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 72.31 110.653 -175.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.38 -33.59 87.64 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.798 -0.715 . . . . 44.31 112.436 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.8 -25.16 56.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.849 0.357 . . . . 64.33 110.941 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 33' ' ' GLY . 85.3 t -69.28 -42.4 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.174 -0.466 . . . . 62.32 111.01 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -119.07 -66.55 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.689 -0.404 . . . . 71.14 111.783 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -54.42 -46.35 73.19 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.473 0.545 . . . . 74.5 112.473 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.37 -34.83 69.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.955 0.407 . . . . 74.51 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -13.74 60.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.323 -0.399 . . . . 71.53 111.074 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -81.8 -28.49 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.744 -0.465 . . . . 61.14 109.744 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.26 -23.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 62.45 110.502 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' ' 47' ' ' VAL . 93.0 mt -56.73 -28.53 61.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.145 -0.479 . . . . 60.11 111.065 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.63 -25.81 68.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 74.35 111.064 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -104.05 -42.2 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.404 -0.362 . . . . 73.24 111.549 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 44' ' ' LEU . 14.5 p -75.57 141.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 45.42 111.483 -174.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 pt? . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.774 -0.632 . . . . 72.32 109.575 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 110.379 -0.23 . . . . 64.0 110.379 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -81.89 101.87 10.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.186 0.517 . . . . 74.21 110.762 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' HB2' HD12 ' A' ' 4' ' ' LEU . 58.8 mt -93.3 -41.74 9.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.721 -0.672 . . . . 70.41 109.861 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' A' ' 3' ' ' LEU . 5.1 mp -122.1 164.86 17.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.482 -0.781 . . . . 75.23 109.158 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.22 -24.42 67.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.986 0.422 . . . . 75.31 110.094 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -57.24 -47.72 80.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.521 -0.763 . . . . 65.02 110.755 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.69 24.98 23.53 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.784 -0.644 . . . . 51.51 112.37 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.9 -56.07 9.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.045 -0.724 . . . . 73.24 109.045 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.23 -26.8 60.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.596 . . . . 74.52 110.647 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.07 -25.27 74.0 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.135 -0.555 . . . . 75.22 112.315 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.15 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 72.31 110.673 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.0 -47.54 8.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.434 -0.58 . . . . 71.52 109.434 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 tptm 60.07 28.41 17.96 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.559 -0.746 . . . . 70.03 110.989 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -53.26 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.228 -0.442 . . . . 54.51 111.204 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.31 -25.3 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 71.2 111.227 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.85 25.22 11.06 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.657 -0.782 . . . . 61.33 112.284 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.5 32.34 5.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.737 -0.744 . . . . 75.22 112.825 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.7 mt -77.94 -77.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.669 0.271 . . . . 71.11 110.503 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.3 51.56 0.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.781 -0.724 . . . . 62.02 111.78 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.99 74.81 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.81 0.338 . . . . 75.53 110.387 -177.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.83 125.31 23.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 72.2 110.617 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.32 -35.48 4.72 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.117 -0.793 . . . . 43.41 111.117 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -94.51 5.25 52.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.517 0.675 . . . . 72.41 109.219 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.52 -40.63 9.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 75.13 109.979 175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.53 96.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 74.22 111.887 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 2.5 p -55.09 -52.24 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 74.22 111.671 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -78.75 -34.81 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.676 -0.238 . . . . 52.41 111.569 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -63.1 -42.19 99.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 61.42 110.388 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.41 -53.92 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 74.45 111.13 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 10.4 pt-20 -76.97 -12.34 59.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.815 -0.354 . . . . 70.21 111.395 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -68.72 -54.06 18.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.428 -0.582 . . . . 32.53 109.428 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.0 -20.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 74.2 110.671 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.37 75.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.86 -0.686 . . . . 32.12 111.602 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -69.81 -31.83 69.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.798 0.333 . . . . 64.32 110.633 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.06 -30.08 68.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.568 -0.825 . . . . 74.24 112.072 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . . . -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.843 0.312 . . . . 54.0 111.843 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 95.1 t -55.51 -43.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 123.145 0.278 . . . . 54.1 110.816 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -89.4 -16.29 31.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.982 -0.287 . . . . 75.31 110.938 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 17.1 t70 -73.21 -60.32 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 73.53 110.546 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 36' ' ' ALA . 13.8 p -66.76 -23.07 30.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.368 0.604 . . . . 71.54 110.338 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 1.4 tppp? -61.98 -38.18 87.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.762 . . . . 75.31 110.513 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.66 -33.5 47.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 75.11 110.3 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 39' ' ' ASP . 94.9 t -58.27 -41.99 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.4 -0.363 . . . . 61.04 111.04 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.82 -11.71 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.59 -0.277 . . . . 71.45 111.579 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.31 -47.3 5.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.362 -0.236 . . . . 72.3 110.362 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 70.05 105.21 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.672 0.789 . . . . 51.11 112.602 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.06 105.56 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.472 -0.785 . . . . 74.44 109.523 175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.589 -0.719 . . . . 43.15 109.968 -178.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.708 0.29 . . . . 75.43 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.834 ' HB3' HD13 ' A' ' 8' ' ' LEU . 2.1 p -92.81 103.89 16.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.879 0.371 . . . . 71.33 110.992 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 3' ' ' LEU . 6.1 mp -72.56 -23.76 61.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 73.11 110.067 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp -163.23 167.22 22.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.629 -1.249 . . . . 63.3 107.629 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.77 -27.07 65.56 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.2 0.524 . . . . 73.42 110.094 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -92.4 -4.24 54.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.798 -0.637 . . . . 64.3 109.807 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 57.93 0.41 Allowed Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.829 -0.623 . . . . 61.11 113.097 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 2' ' ' SER . 2.6 pt? -172.46 161.63 5.13 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.914 -0.402 . . . . 73.33 109.914 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.46 -25.93 23.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 72.45 110.565 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.58 13.53 16.71 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.679 -0.691 . . . . 75.21 113.775 -174.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.64 0.06 10.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.13 0.49 . . . . 52.35 110.536 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -118.35 -61.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 75.13 109.259 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.0 mmmp? 63.03 11.78 5.43 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.085 0.772 . . . . 74.13 113.085 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.74 -48.82 44.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.097 0.475 . . . . 74.43 110.439 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.6 t -97.42 -25.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.552 0.691 . . . . 74.15 109.428 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.41 65.72 3.05 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.315 -0.857 . . . . 54.34 112.735 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.61 -90.02 1.96 Allowed Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.491 -0.644 . . . . 52.43 111.491 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -100.76 1.06 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.167 0.508 . . . . 72.23 110.695 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.52 5.0 85.65 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.604 -0.726 . . . . 60.21 111.991 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -121.16 97.19 5.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.446 -0.576 . . . . 71.02 109.446 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -98.88 -11.25 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.326 -0.397 . . . . 71.12 111.396 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.5 -16.48 58.63 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.193 -0.527 . . . . 70.21 113.037 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.612 ' HD3' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -80.84 -23.34 39.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.582 0.23 . . . . 74.04 111.362 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.612 ' N ' ' HD3' ' A' ' 23' ' ' LYS . 31.6 t70 -74.91 -56.56 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.64 0.607 . . . . 74.25 112.64 -167.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.02 -26.42 63.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.561 0.578 . . . . 74.34 112.561 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 13.1 p -90.2 -30.82 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.558 0.577 . . . . 74.32 112.558 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 24' ' ' ASP . 11.9 pt-20 -57.83 -46.6 84.48 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.637 0.606 . . . . 74.33 112.637 -169.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.53 -31.8 69.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.122 0.487 . . . . 74.41 111.15 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.63 -48.71 37.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 72.21 111.254 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.62 -1.72 56.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 75.24 111.605 -175.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.4 t -63.05 -58.24 7.97 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.605 -0.517 . . . . 70.12 109.605 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.32 -15.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.76 -0.654 . . . . 60.01 110.681 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.24 -34.97 90.13 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.736 -0.665 . . . . 22.23 112.819 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.43 -22.01 65.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 0.269 . . . . 72.55 111.555 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.98 -44.99 1.55 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.641 -0.79 . . . . 32.23 111.883 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.148 0.425 . . . . 63.25 112.148 -175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.55 -45.47 98.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.715 0.293 . . . . 64.43 110.872 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.11 -38.11 81.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.075 -0.342 . . . . 73.13 110.075 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 43' ' ' VAL . 11.5 t70 -59.21 -59.78 4.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 61.12 110.964 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.95 -43.67 85.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 73.22 111.06 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 tmtm? -60.1 -46.12 90.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 53.41 110.659 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.04 -42.02 98.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 61.44 110.695 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 39' ' ' ASP . 98.8 t -65.77 -42.88 93.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.715 -0.675 . . . . 73.34 111.342 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 4.6 pp -72.1 -23.09 61.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.675 -0.41 . . . . 62.52 111.881 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -91.25 -13.36 32.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.262 -0.575 . . . . 62.11 110.061 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 t -79.54 -39.57 31.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.652 -0.704 . . . . 74.11 110.043 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.56 171.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.89 -0.596 . . . . 75.43 111.233 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.647 -0.692 . . . . 74.44 109.429 -179.874 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 51.9 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.981 0.419 . . . . 73.01 110.311 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -102.47 -57.12 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.948 -0.301 . . . . 65.02 111.515 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.39 -20.23 53.24 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.191 0.812 . . . . 72.11 113.191 -172.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 HD22 ' A' ' 8' ' ' LEU . 8.8 tt -53.75 -45.15 70.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.844 0.354 . . . . 65.54 110.513 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 5' ' ' GLU . 39.4 tt0 -117.96 15.03 14.25 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.607 -0.886 . . . . 74.1 108.607 175.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 mttm 71.74 -37.91 0.4 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.947 -1.024 . . . . 52.21 111.085 -176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 5' ' ' GLU . . . -139.92 45.3 1.01 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.784 -0.926 . . . . 62.53 110.784 174.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 1' ' ' SER . 59.6 tp -62.69 -44.66 95.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.313 . . . . 62.4 111.458 -175.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -72.56 -10.4 59.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 73.5 110.402 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' HA2' ' HB2' ' A' ' 13' ' ' LYS . . . -69.09 -29.38 72.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.09 -0.576 . . . . 73.15 111.773 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.09 -20.45 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 44.24 110.718 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -111.2 10.12 21.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.12 109.9 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 27.0 tptt -80.36 -44.21 19.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.628 -0.714 . . . . 51.42 111.453 -171.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.62 -10.36 32.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.376 -0.374 . . . . 72.22 111.599 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.4 t -54.22 -45.14 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.253 -0.43 . . . . 63.31 111.391 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.17 1.83 58.6 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.667 -0.778 . . . . 64.41 113.36 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.26 -9.2 6.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.575 -0.821 . . . . 74.43 112.849 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -47.23 -61.21 2.0 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.398 0.518 . . . . 75.01 112.398 -174.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.77 17.49 59.17 Favored Glycine 0 C--O 1.226 -0.397 0 C-N-CA 120.48 -0.867 . . . . 73.33 112.57 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.994 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 5.7 mmpt? -130.35 -93.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.864 0.364 . . . . 73.34 111.77 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 20' ' ' LYS . 7.4 mp -69.14 -13.77 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 62.42 111.686 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.67 68.37 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.563 -0.615 . . . . 71.3 111.563 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -111.77 -54.03 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.141 -0.318 . . . . 73.21 110.141 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t70 54.88 73.08 0.43 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.42 -0.809 . . . . 64.23 110.329 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.58 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.388 -0.824 . . . . 74.05 111.039 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.25 -20.65 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.296 0.57 . . . . 75.21 110.829 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 2.0 pm0 -64.12 -7.17 8.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.742 -0.663 . . . . 63.12 111.605 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' HG22 ' A' ' 32' ' ' VAL . 16.1 t70 -61.36 -40.29 93.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.262 0.553 . . . . 75.31 109.916 173.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.8 mt -76.89 -18.5 58.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 74.05 110.442 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -91.67 -50.99 5.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.669 -0.696 . . . . 63.33 111.609 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -65.48 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 63.31 111.503 -174.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 28' ' ' ASP . 27.8 m -77.86 -11.56 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.026 0.441 . . . . 74.1 110.335 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.67 -33.72 55.15 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.955 -0.858 . . . . 73.01 110.955 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? 72.2 -4.48 1.99 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.383 0.673 . . . . 73.21 111.898 173.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.5 -14.54 78.13 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.016 -0.612 . . . . 44.1 112.603 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -24.19 50.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.687 0.254 . . . . 55.43 111.687 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 58.6 t -55.64 -34.55 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 64.21 111.197 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.35 -44.15 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 73.1 110.68 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.34 -42.56 99.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.908 -0.587 . . . . 70.02 111.688 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.53 -27.51 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.818 0.342 . . . . 73.54 110.559 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 50.6 tptt -59.32 -34.38 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.87 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.41 -25.63 64.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.27 -50.55 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.521 . . . . 54.24 111.253 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 ' H ' ' A' ' 44' ' ' LEU . 1.7 pt? -82.04 -7.7 59.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.965 0.412 . . . . 53.24 110.44 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.01 -58.8 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.508 . . . . 64.01 109.915 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.3 m -108.27 93.83 4.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.915 -0.584 . . . . 55.51 109.784 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG13 ' HG ' ' A' ' 48' ' ' LEU . 12.2 p -91.01 -15.58 8.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.636 -0.711 . . . . 75.04 109.966 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HG ' HG13 ' A' ' 47' ' ' VAL . 93.0 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -0.804 . . . . 74.34 110.041 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 110.583 -0.155 . . . . 70.52 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 34.7 m 58.82 44.92 16.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.213 0.53 . . . . 51.03 110.374 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.55 -59.75 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 63.44 110.23 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.5 tp -139.56 -70.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.632 . . . . 65.51 109.422 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -97.14 50.11 1.08 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.349 -0.841 . . . . 74.41 109.016 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 2' ' ' SER . 35.0 mmtp 59.98 -88.47 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.349 -0.841 . . . . 73.34 110.56 -172.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.81 48.41 0.38 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.476 -1.05 . . . . 64.03 110.476 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -40.35 -64.54 0.5 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.815 0.846 . . . . 75.2 112.854 -173.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 12.8 t70 -102.46 -20.56 14.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.852 0.358 . . . . 71.41 110.74 -178.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.75 ' HA2' ' HD3' ' A' ' 13' ' ' LYS . . . -64.4 -17.32 61.79 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.928 -0.578 . . . . 34.53 113.017 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.61 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 75.04 111.52 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -110.92 23.4 14.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.719 0.295 . . . . 73.34 110.603 -178.559 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.75 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 4.1 tptp -73.38 -13.7 61.14 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.857 -0.337 . . . . 72.42 111.339 -177.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.44 87.12 3.19 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.727 -0.471 . . . . 74.42 109.727 175.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t 62.81 80.2 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.518 -0.765 . . . . 73.41 110.416 -173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.55 18.37 57.53 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.52 -0.764 . . . . 43.3 112.406 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.67 53.98 3.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.944 -0.646 . . . . 72.14 112.37 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.737 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.0 pt? -99.22 -50.37 4.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.969 0.414 . . . . 74.32 110.072 177.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' N ' ' HG ' ' A' ' 18' ' ' LEU . . . -147.69 47.89 0.66 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.186 -1.166 . . . . 73.0 110.186 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 57.2 pttt -68.77 -21.13 64.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.342 -0.429 . . . . 74.12 111.916 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.48 -15.4 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.507 -0.315 . . . . 75.25 110.522 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.01 -63.59 5.06 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 116.036 -0.529 . . . . 74.21 112.821 -177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.1 pttt -92.43 -5.78 51.28 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.793 -0.363 . . . . 63.34 110.305 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 73.18 -40.55 0.47 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.611 0.765 . . . . 62.24 112.469 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.47 58.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.49 . . . . 72.42 112.099 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 20' ' ' LYS . 48.7 t -132.2 -53.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 73.34 109.036 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.33 -22.5 66.97 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.687 -0.688 . . . . 71.53 110.309 174.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.5 t70 -53.24 -62.13 1.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.871 -0.604 . . . . 64.14 111.158 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.2 -29.55 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 70.25 111.29 -176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.97 -52.66 8.99 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.181 -0.463 . . . . 72.5 110.276 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -67.62 -32.27 72.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 55.12 112.467 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 28' ' ' ASP . 27.1 m -61.8 -20.78 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.66 0.267 . . . . 65.04 111.385 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.67 14.61 12.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.743 -0.741 . . . . 73.41 111.652 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 54.2 41.02 32.2 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.225 0.536 . . . . 73.11 110.754 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.98 49.96 1.11 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.847 -0.901 . . . . 63.23 110.847 -175.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.3 2.39 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.207 0.447 . . . . 64.41 112.207 -175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.44 -32.55 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.021 0.438 . . . . 64.44 111.121 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -75.37 -68.15 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.035 -0.529 . . . . 62.22 111.051 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 75.12 112.253 -170.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.0 t -57.0 -46.43 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.481 0.181 . . . . 65.12 111.355 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -75.34 -26.31 58.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.913 0.387 . . . . 71.31 110.763 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -76.6 -38.01 55.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.043 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' ASP . 99.4 t -66.79 -38.49 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 44.32 111.39 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 pp -97.01 23.08 7.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.721 0.296 . . . . 71.41 111.335 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.91 -48.86 62.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.773 0.32 . . . . 64.53 111.113 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 t -85.41 70.13 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.553 0.692 . . . . 74.25 110.961 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -108.14 -25.85 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.652 -0.87 . . . . 72.2 108.652 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.246 0.909 0 CA-C-N 114.967 -1.015 . . . . 72.24 109.716 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 120.873 0.368 . . . . 72.34 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -84.19 94.89 8.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.927 0.394 . . . . 51.33 110.476 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.32 -21.41 36.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.062 -0.517 . . . . 74.02 110.749 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp -170.47 171.9 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.183 -1.043 . . . . 64.31 108.183 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -52.84 -52.88 55.52 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.289 -0.634 . . . . 65.15 109.289 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -74.19 102.33 4.25 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.785 -0.821 . . . . 75.53 108.785 170.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.84 -50.09 0.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.863 -1.062 . . . . 64.01 110.602 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 9' ' ' ASP . 4.4 pp -75.68 -26.94 58.07 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.387 -0.597 . . . . 73.54 109.387 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.3 p-10 -77.21 -26.63 52.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.486 -0.779 . . . . 73.23 109.754 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.0 -30.9 40.93 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.511 -0.768 . . . . 74.42 112.213 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.14 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.082 0.468 . . . . 64.54 111.471 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -4.95 59.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.095 0.474 . . . . 74.52 110.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -101.28 -37.7 8.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.078 -0.51 . . . . 72.53 110.827 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.46 -31.45 72.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.539 . . . . 71.41 111.13 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.56 -23.9 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.233 0.54 . . . . 71.14 110.442 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.78 -24.72 44.5 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.829 -0.7 . . . . 43.52 111.784 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.43 16.03 26.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.118 -0.563 . . . . 30.42 112.734 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -83.91 -21.93 31.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 71.22 110.496 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.04 64.12 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.717 -0.754 . . . . 52.13 112.062 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -132.58 127.54 35.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.671 0.272 . . . . 53.31 110.359 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.87 117.85 8.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.035 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.04 -39.55 2.29 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.89 -0.884 . . . . 70.41 110.89 -173.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -96.14 -19.75 19.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.669 -0.493 . . . . 73.43 109.669 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.54 -50.67 67.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.066 -0.97 . . . . 74.32 111.349 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.536 . . . . 45.21 111.285 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 20.3 t -72.19 -51.4 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 61.42 109.903 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -61.45 -32.93 72.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 71.24 110.253 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.35 -45.42 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.656 -0.702 . . . . 41.45 111.146 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 4.0 pp -72.81 -30.57 64.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.954 0.407 . . . . 71.11 110.394 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -84.28 6.11 24.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.139 0.495 . . . . 62.13 110.663 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -91.37 -40.44 11.45 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.983 -0.747 . . . . 73.23 108.983 172.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -79.62 -28.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.216 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.19 1.86 84.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.966 -0.635 . . . . 74.44 111.847 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.66 -48.93 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 72.42 110.403 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.07 72.63 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.842 -0.617 . . . . 71.22 112.537 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.24 -55.88 14.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.694 0.283 . . . . 44.42 110.599 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.5 -35.11 57.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.329 0.585 . . . . 71.32 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -65.93 -45.06 83.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.44 -0.8 . . . . 72.55 110.607 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 41' ' ' LYS . 30.2 t70 -63.83 -39.47 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.23 111.506 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 36' ' ' ALA . 14.3 t -75.99 26.88 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.877 0.846 . . . . 63.44 110.611 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 58.0 tttm -150.19 -42.01 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.807 -0.812 . . . . 73.42 108.807 172.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -51.75 -47.24 64.17 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.342 -0.845 . . . . 72.2 111.395 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -91.63 -10.84 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.39 0.614 . . . . 71.14 110.395 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 41' ' ' LYS . 55.7 tp -83.07 -39.61 20.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.505 . . . . 71.44 111.406 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 63.9 m-20 -72.0 -17.13 62.07 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.938 0.399 . . . . 72.35 110.537 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -70.05 106.37 3.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.807 -0.633 . . . . 73.5 110.928 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.7 p -153.61 155.23 6.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.363 -0.606 . . . . 71.14 109.363 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.33 -0.843 . . . . 72.21 110.269 -178.48 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.785 0.326 . . . . 73.45 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 p -125.55 161.48 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.578 -0.283 . . . . 73.5 110.682 -177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.32 -85.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.44 111.402 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.5 tp -121.71 144.44 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.335 -0.393 . . . . 52.45 110.918 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -52.72 -51.66 59.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.727 -0.67 . . . . 65.33 111.27 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -92.76 22.19 4.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.492 . . . . 64.23 110.946 -175.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 34.28 1.13 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 71.34 111.676 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 110.78 19.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.567 -0.531 . . . . 74.15 109.567 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -66.75 -23.41 66.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.392 . . . . 70.21 111.18 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.87 69.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.078 -0.582 . . . . 72.44 112.233 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.06 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.544 0.212 . . . . 53.42 111.36 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.01 -34.86 8.31 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.678 -0.409 . . . . 75.53 111.41 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -39.56 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.208 -0.308 . . . . 55.11 111.129 -174.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.06 5.69 32.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.589 0.233 . . . . 74.53 111.51 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.52 -22.33 4.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 72.12 110.307 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 20' ' ' LYS . . . 130.96 -29.48 3.52 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.757 -0.735 . . . . 70.41 112.381 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.98 -113.83 5.69 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 121.06 -0.59 . . . . 73.5 111.75 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -114.35 3.42 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.176 0.512 . . . . 54.22 110.462 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.79 -50.68 0.78 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.682 -0.69 . . . . 44.34 111.773 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 50.0 mtmt 70.75 -56.23 0.62 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.523 0.729 . . . . 72.0 112.38 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.88 -16.01 47.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.716 0.294 . . . . 73.53 111.7 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.47 -20.53 63.6 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.792 -0.718 . . . . 51.04 112.024 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 3.4 mmmp? -72.29 -23.93 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.223 0.209 . . . . 42.14 111.261 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -49.09 -55.71 11.34 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.594 0.559 . . . . 43.33 112.236 -174.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.55 -22.78 58.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 65.25 111.505 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -83.64 -25.34 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.527 -0.306 . . . . 72.35 111.211 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.754 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 24.8 mt-10 -62.79 -18.57 62.93 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 112.17 0.433 . . . . 63.34 112.17 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.65 -19.65 44.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 65.14 110.529 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.6 tp -105.83 -35.53 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 75.21 111.113 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.754 ' HG2' ' HA ' ' A' ' 27' ' ' GLU . 12.1 pt-20 -67.5 -25.11 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.802 0.334 . . . . 75.3 111.177 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -68.17 -40.43 82.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.382 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 34' ' ' LYS . 14.9 p -79.79 -22.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.835 0.35 . . . . 52.14 110.211 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.69 61.41 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.885 -0.598 . . . . 65.51 113.583 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' H ' HG13 ' A' ' 32' ' ' VAL . 92.1 mttt 64.03 9.44 4.63 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.903 0.481 . . . . 72.04 111.471 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.76 47.3 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.505 -0.638 . . . . 51.51 111.505 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -19.02 57.58 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.901 0.334 . . . . 63.42 111.901 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.34 -35.09 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.32 -0.4 . . . . 62.4 110.701 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -91.18 -43.81 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 75.12 109.68 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.8 t70 -65.7 -50.06 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.93 -1.032 . . . . 74.41 112.411 -169.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 88.8 t -62.33 -36.04 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 64.0 111.214 -175.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.36 -23.53 66.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.802 0.334 . . . . 45.33 110.824 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 -40.63 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.034 0.445 . . . . 75.51 109.975 177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 39' ' ' ASP . 48.1 t -63.9 -41.78 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.562 -0.744 . . . . 65.34 111.232 -178.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.0 pp -79.63 2.43 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.034 0.445 . . . . 61.22 111.288 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -108.7 13.15 25.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.742 0.782 . . . . 74.15 109.966 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.7 p -78.59 3.41 16.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -58.67 121.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 72.11 110.737 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 48' ' ' LEU . 4.8 mp . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 73.42 110.235 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.978 0.418 . . . . 72.42 110.578 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -166.75 157.0 11.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.507 -0.553 . . . . 71.12 109.507 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -141.62 -36.03 0.44 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.582 -0.281 . . . . 71.34 110.838 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -140.2 175.76 9.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.967 -0.383 . . . . 64.44 109.967 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.26 -39.56 92.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.195 0.521 . . . . 74.34 109.958 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -90.07 7.41 37.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.641 -0.709 . . . . 71.54 110.379 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.35 26.84 6.24 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.34 -0.704 . . . . 72.23 111.34 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 11' ' ' ALA . 3.2 tt -90.44 102.18 14.91 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.553 -0.906 . . . . 74.03 108.553 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -51.97 -45.85 64.57 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.7 -0.682 . . . . 73.15 112.483 -172.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.54 95.61 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.036 -0.602 . . . . 65.51 112.533 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . . . -73.05 -31.13 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.897 0.38 . . . . 74.54 111.016 -177.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.89 -16.53 64.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.106 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 7.9 ptpp? -119.29 22.19 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.848 0.356 . . . . 54.42 110.938 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.69 -58.05 3.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 60.31 110.464 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.59 -34.35 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 71.43 110.116 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.26 -91.62 0.67 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.655 -0.783 . . . . 75.35 111.876 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.619 ' HA2' ' HB2' ' A' ' 13' ' ' LYS . . . 73.71 -77.73 0.92 Allowed Glycine 0 C--O 1.228 -0.271 0 C-N-CA 121.143 -0.551 . . . . 72.11 112.651 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 18' ' ' LEU . 5.7 mp -73.17 -29.13 62.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.342 0.591 . . . . 50.41 109.771 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.23 98.68 2.11 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.382 -0.826 . . . . 73.35 111.994 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -82.8 51.07 1.82 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.673 0.749 . . . . 62.44 109.651 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.861 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.6 pp -53.14 -25.38 13.2 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.97 -1.014 . . . . 74.45 113.49 -170.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -59.76 -37.42 92.4 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.8 -0.714 . . . . 74.42 112.054 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 -26.47 12.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.322 0.582 . . . . 74.35 109.62 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.861 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 15.7 t70 -61.36 -43.73 98.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.112 -0.949 . . . . 70.32 111.172 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.37 67.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 64.41 111.263 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.31 -30.93 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.376 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.04 -20.84 65.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 73.04 110.778 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.9 -34.27 77.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.26 0.552 . . . . 73.51 110.075 174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD11 ' HA3' ' A' ' 35' ' ' GLY . 35.7 tp -85.56 -46.52 10.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.9 -0.591 . . . . 74.13 110.084 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.3 -71.16 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.518 -0.765 . . . . 75.55 112.426 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 m -61.04 -40.03 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.163 0.431 . . . . 53.53 112.163 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.03 -38.61 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.985 0.422 . . . . 61.14 110.717 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.32 74.43 0.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 51.14 112.487 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -129.46 3.72 5.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.062 0.393 . . . . 71.33 112.062 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.735 ' HA3' HD11 ' A' ' 29' ' ' LEU . . . -137.07 -26.0 0.4 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 119.548 -1.31 . . . . 53.33 114.292 -173.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -60.72 2.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.008 0.404 . . . . 52.21 111.843 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 t -94.76 60.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.307 0.575 . . . . 64.43 110.159 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 33.4 t-80 -168.89 -53.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.685 -0.689 . . . . 74.5 110.293 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.6 t70 -74.44 -55.66 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.475 -0.329 . . . . 74.25 110.218 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 t -56.58 -29.73 30.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 70.14 110.356 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' HIS . 7.3 tmtm? -54.28 -48.37 71.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.526 -0.761 . . . . 74.13 110.701 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.08 -31.36 50.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 61.23 110.655 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 39' ' ' ASP . 60.6 t -63.31 -39.1 84.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.113 -0.494 . . . . 61.52 110.359 177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.5 tp -68.32 -37.19 80.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.751 -0.658 . . . . 61.45 110.622 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -65.24 -57.0 9.59 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.987 0.422 . . . . 73.45 109.938 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t 60.04 82.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.029 -0.987 . . . . 71.04 111.149 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -86.37 -30.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.01 -0.737 . . . . 65.24 109.01 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--O 1.243 0.76 0 CA-C-N 115.04 -0.982 . . . . 53.51 109.519 174.507 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.202 0.525 . . . . 61.31 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -89.25 168.25 12.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.664 -0.698 . . . . 73.3 110.385 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -79.57 39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 74.2 110.144 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.87 -74.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.49 -175.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -72.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 74.52 110.197 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -78.3 29.18 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.109 0.411 . . . . 72.52 112.109 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA3' ' HB2' ' A' ' 3' ' ' LEU . . . -132.36 -84.92 0.28 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.811 -0.709 . . . . 31.34 112.054 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.61 -54.32 33.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.924 0.393 . . . . 65.13 110.267 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.536 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 22.1 t70 -81.91 -17.79 45.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.396 0.617 . . . . 75.44 110.044 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.59 -22.56 73.43 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.326 -0.71 . . . . 53.41 111.326 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 15' ' ' VAL . . . -60.84 -33.53 73.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.586 0.231 . . . . 52.11 110.562 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -64.74 -37.86 89.02 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 120.943 0.401 . . . . 72.21 110.515 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -73.47 -19.31 60.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.752 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.62 -48.54 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 44.21 111.199 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 11' ' ' ALA . 11.2 p -76.39 -23.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 74.33 110.511 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.56 60.79 4.7 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 116.001 -0.545 . . . . 55.22 112.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.53 -38.05 7.81 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.571 -0.823 . . . . 45.11 111.114 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 18' ' ' LEU . 2.0 pp -89.79 8.26 32.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.995 0.426 . . . . 53.22 110.807 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.59 58.77 0.19 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 121.032 -0.604 . . . . 73.24 111.739 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 30.1 ttmt -71.04 -24.42 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.402 0.62 . . . . 72.34 110.114 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.4 pt? -126.78 147.82 49.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.454 -0.794 . . . . 71.44 109.303 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -45.5 1.99 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.716 -0.754 . . . . 75.02 112.131 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -72.88 -21.28 60.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 72.44 110.619 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -68.06 -30.02 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 74.43 110.19 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -23.42 42.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.186 0.517 . . . . 72.22 110.383 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -72.28 -33.29 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 71.33 110.528 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -51.4 -55.21 19.89 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.027 -0.533 . . . . 72.02 110.944 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' O ' HG12 ' A' ' 32' ' ' VAL . 16.8 t70 -51.1 -50.06 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.758 -0.655 . . . . 71.14 111.44 -176.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.48 -46.69 80.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.978 -0.555 . . . . 42.15 112.106 -175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -18.62 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 71.22 111.878 -175.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.7 m -82.59 -37.59 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.164 -0.335 . . . . 74.42 111.127 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 28' ' ' ASP . 5.8 p -87.77 -24.94 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.86 0.362 . . . . 53.01 110.448 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.72 74.21 0.67 Allowed Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 72.0 112.674 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -81.64 -81.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.947 -0.301 . . . . 61.43 111.093 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.11 -28.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.216 -0.992 . . . . 61.4 113.678 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -45.18 -51.85 10.07 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.644 0.609 . . . . 55.22 112.644 -175.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.61 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.046 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -63.41 -37.6 87.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.039 -0.528 . . . . 75.22 110.303 -178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.25 -43.36 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 65.53 111.569 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 36' ' ' ALA . 93.8 t -58.82 -42.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 72.54 110.498 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.721 ' HD2' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -70.39 -40.62 73.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 72.33 109.695 178.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.24 -44.39 95.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.699 -0.682 . . . . 74.02 112.184 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.18 -46.07 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.689 0.28 . . . . 72.43 111.449 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.8 tp -70.66 -64.53 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 60.53 110.874 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.721 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . 29.2 t70 -83.11 82.05 8.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.703 0.763 . . . . 73.41 109.945 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.4 t -139.86 -36.84 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.412 -1.267 . . . . 70.34 109.275 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.82 97.36 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.931 -0.577 . . . . 73.41 109.763 176.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.548 -0.739 . . . . 62.12 110.19 -177.703 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 121.012 0.434 . . . . 73.43 110.383 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -71.0 120.84 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.808 -0.633 . . . . 63.55 110.282 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.5 -27.44 13.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.757 0.313 . . . . 75.23 111.068 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 12.8 tp -161.77 -177.01 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.315 -0.995 . . . . 72.34 108.315 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.719 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -73.18 -31.99 64.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.389 0.54 . . . . 74.24 110.682 -178.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.719 ' HD3' ' HG2' ' A' ' 5' ' ' GLU . 3.6 mppt? -98.29 -4.4 35.19 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.71 -0.478 . . . . 75.15 109.71 168.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.4 52.63 4.12 Favored Glycine 0 N--CA 1.454 -0.147 0 CA-C-N 115.835 -0.62 . . . . 64.13 112.559 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -164.19 -70.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.138 -1.06 . . . . 73.12 108.138 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.87 -43.9 67.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.67 -0.696 . . . . 65.02 111.195 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.37 -16.64 75.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.855 -0.688 . . . . 51.22 112.951 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.27 -11.46 27.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.704 0.288 . . . . 42.14 110.905 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -135.29 33.41 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.504 . . . . 62.23 109.638 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -64.16 91.63 0.07 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.461 -0.79 . . . . 73.24 112.334 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.13 19.5 1.47 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.254 -0.885 . . . . 64.54 112.577 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t 58.33 95.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 109.047 -0.723 . . . . 72.51 109.047 -169.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.2 47.27 2.28 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.713 -0.676 . . . . 53.4 113.992 -169.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.78 -13.41 53.44 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.9 -0.666 . . . . 65.13 111.812 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 18' ' ' LEU . 2.3 pt? -82.12 91.17 6.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.475 0.655 . . . . 71.44 110.692 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.18 -40.77 2.38 Favored Glycine 0 CA--C 1.521 0.425 0 CA-C-N 115.695 -0.684 . . . . 74.24 113.7 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.647 0.223 . . . . 63.14 110.94 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt 75.08 -48.57 0.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.512 0.725 . . . . 72.33 112.679 174.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.97 -48.99 13.96 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.498 0.559 . . . . 32.13 114.498 -174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.54 -53.53 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.087 0.444 . . . . 74.42 111.128 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.89 -28.75 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.248 0.547 . . . . 55.45 111.282 -176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 -9.71 59.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.987 -0.551 . . . . 71.33 112.19 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.34 -33.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.478 -0.489 . . . . 73.42 112.007 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.15 -48.98 75.22 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 74.21 111.596 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.4 -33.46 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.976 0.417 . . . . 65.14 110.694 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.18 -41.47 97.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 71.41 111.792 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 12.1 pt-20 -89.66 -30.63 17.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.838 0.31 . . . . 71.2 111.838 -176.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 t -75.02 -20.28 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 64.12 111.403 -174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.4 p -80.66 36.71 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-O 121.813 0.816 . . . . 50.2 111.566 -176.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.6 11.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.843 -0.694 . . . . 71.31 113.387 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 1.5 mptm? -100.08 -74.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.522 -0.399 . . . . 63.44 110.874 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.51 -37.46 14.22 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.681 -0.771 . . . . 73.55 112.781 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.15 -44.42 61.42 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.411 0.523 . . . . 70.01 112.411 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -25.25 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.635 -0.257 . . . . 64.42 111.68 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -71.83 -40.42 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.849 0.357 . . . . 74.25 110.408 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.4 -42.56 35.82 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.07 -0.513 . . . . 71.25 110.391 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 36' ' ' ALA . 75.7 t -58.57 -40.92 80.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 55.31 110.729 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -52.32 -51.31 59.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.333 -0.394 . . . . 73.13 110.707 179.395 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.22 -49.78 66.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.848 -0.615 . . . . 73.53 111.761 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.13 -45.99 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.378 -0.374 . . . . 73.42 111.468 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.97 -32.36 74.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 71.3 111.053 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -78.33 -26.89 46.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 73.25 110.694 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -79.03 -56.0 4.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.315 -0.402 . . . . 71.11 110.395 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -134.57 141.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 71.45 110.945 -174.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.582 -0.723 . . . . 75.35 109.578 178.014 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 110.095 -0.335 . . . . 73.22 110.095 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.586 ' HB3' HD23 ' A' ' 4' ' ' LEU . 32.4 m -60.37 116.75 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 65.42 110.476 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 1.9 pp -80.36 20.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.121 0.486 . . . . 55.32 111.763 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 2' ' ' SER . 3.4 mm? -75.1 -168.38 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.209 -0.663 . . . . 61.34 109.209 173.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.71 -4.64 4.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 72.34 112.396 -174.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -16.13 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.647 0.26 . . . . 73.23 110.843 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.16 -43.93 0.28 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.881 -0.676 . . . . 75.52 111.589 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.35 103.05 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.963 -0.754 . . . . 72.52 108.963 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 12' ' ' LYS . 10.3 t70 -82.34 119.07 23.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.09 0.472 . . . . 71.01 111.286 -175.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.8 -11.46 12.71 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.895 -1.282 . . . . 42.11 109.895 170.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.95 82.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.048 -0.576 . . . . 42.43 112.308 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HG2' ' OD1' ' A' ' 9' ' ' ASP . 33.5 mmtm -76.73 -34.12 58.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.338 0.59 . . . . 71.41 110.038 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -75.31 -37.66 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.713 -0.676 . . . . 65.12 111.534 -175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.16 -49.19 46.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 74.12 111.47 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.56 -20.72 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.335 0.588 . . . . 71.4 111.05 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.82 -6.58 88.3 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.569 -0.824 . . . . 54.43 112.039 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.09 -87.95 0.39 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.121 -0.562 . . . . 65.23 112.087 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.5 pt? -98.91 23.95 8.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 72.3 110.317 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.18 5.25 43.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.687 -0.768 . . . . 74.44 112.371 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp 76.39 -12.44 1.03 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.73 0.812 . . . . 71.54 111.748 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . 10.3 mp -59.56 -22.87 62.33 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.878 0.325 . . . . 74.14 111.878 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.75 -33.99 88.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 60.24 111.666 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -90.76 -28.89 17.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.665 0.269 . . . . 74.24 110.381 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.681 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 1.8 m-20 -57.1 -37.9 72.59 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.036 -0.529 . . . . 63.41 110.904 175.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.54 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 72.24 111.728 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.04 -50.62 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 74.31 110.623 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.97 -53.83 40.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.695 -0.684 . . . . 72.42 111.25 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -64.29 -34.97 79.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 73.45 111.999 -172.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.38 -44.31 87.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 52.02 111.52 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -90.45 -19.69 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.627 -0.429 . . . . 61.33 111.768 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 t -69.77 -24.12 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 72.33 110.508 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 m -93.81 6.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.699 0.285 . . . . 75.11 111.0 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.21 49.94 49.07 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.967 -0.56 . . . . 51.41 113.238 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -113.62 21.02 15.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.511 0.672 . . . . 73.24 110.455 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 -56.02 0.52 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 35.52 112.346 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.39 -0.7 26.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.703 0.287 . . . . 74.12 111.54 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.69 -22.65 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 75.5 111.045 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -77.3 -40.69 43.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.908 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.0 -30.92 65.72 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.593 0.59 . . . . 75.51 112.593 -173.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.94 -43.75 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.758 -0.377 . . . . 72.14 110.572 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -70.3 -42.61 71.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.957 0.408 . . . . 74.13 110.425 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.59 -46.82 88.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.656 -0.702 . . . . 72.42 111.434 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.18 -50.41 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 75.4 111.675 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 45' ' ' ASP . 4.4 pp -64.56 -25.63 68.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.815 0.341 . . . . 75.45 111.443 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 -20.16 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.354 -0.385 . . . . 75.33 110.641 -178.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -88.81 -10.86 46.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 71.11 111.289 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.46 125.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.552 . . . . 75.33 110.865 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.908 HD23 ' H ' ' A' ' 48' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.179 -0.915 . . . . 62.43 110.546 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.6 0.238 . . . . 44.41 110.532 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.596 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 21.8 m 66.95 10.84 7.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.811 -0.631 . . . . 74.01 112.18 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 3' ' ' LEU . 2.0 tm? -76.91 -63.23 1.41 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.701 -0.852 . . . . 73.12 108.701 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 97.0 mt -87.6 -22.84 24.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.452 0.644 . . . . 71.32 109.641 176.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.596 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 28.1 mt-10 -73.81 -15.71 61.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.061 -0.972 . . . . 64.12 111.538 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -133.31 -53.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.472 -0.331 . . . . 44.11 110.608 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.09 -10.17 68.28 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.064 -0.516 . . . . 43.14 113.457 -175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 58.5 tp -102.95 -61.7 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.008 0.404 . . . . 70.02 110.459 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -58.61 -46.82 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.53 111.446 -178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.11 -25.82 73.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.946 -0.645 . . . . 61.44 112.888 -175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.51 92.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.864 0.364 . . . . 73.34 111.339 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 4.1 mptp? -78.59 -3.43 43.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 73.15 110.848 -177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 1.4 tmtp? -97.5 -36.24 10.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.004 -0.739 . . . . 71.32 109.004 174.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -28.95 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 73.22 111.547 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.66 -4.43 5.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.54 0.686 . . . . 73.32 110.728 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.727 ' HA3' ' HB3' ' A' ' 20' ' ' LYS . . . 91.8 -53.61 2.99 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.916 -0.583 . . . . 72.43 112.412 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.85 -100.39 0.76 Allowed Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.831 -0.508 . . . . 71.52 111.831 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -100.14 -11.0 20.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.006 0.431 . . . . 74.0 110.428 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.37 16.61 31.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.751 -0.738 . . . . 75.32 111.742 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.727 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -79.78 154.84 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.326 -0.25 . . . . 75.42 110.326 -178.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.8 mt 72.2 -10.02 0.95 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.48 0.712 . . . . 71.24 110.959 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' LYS . . . -85.83 -56.79 2.27 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.069 -0.586 . . . . 60.34 111.972 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -89.61 -25.08 21.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.172 -0.211 . . . . 74.23 111.185 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 72.81 -61.36 0.5 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.157 0.799 . . . . 74.0 113.157 169.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.1 67.63 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.914 0.709 . . . . 74.3 112.914 -171.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG13 ' HG3' ' A' ' 27' ' ' GLU . 11.7 p -62.93 -26.88 42.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.125 0.488 . . . . 73.34 111.297 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 18.7 mt-10 -90.8 -5.58 55.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 74.31 110.876 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -87.57 -55.97 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.366 -0.379 . . . . 54.13 111.239 -174.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.7 pt? -65.36 -25.48 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.525 -0.307 . . . . 41.14 111.817 -173.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -25.21 55.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 71.42 110.488 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -79.57 -34.11 41.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 71.34 109.82 174.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.23 -38.73 81.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.821 -0.627 . . . . 71.52 110.549 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.48 -62.77 4.01 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.821 -0.704 . . . . 64.23 112.571 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.75 -28.63 68.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.444 0.164 . . . . 73.43 111.151 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.99 -42.77 95.08 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.87 -0.681 . . . . 73.4 111.836 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.53 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.744 0.307 . . . . 74.11 110.292 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.95 -43.85 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 61.21 110.983 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -71.86 -67.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 75.33 111.763 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -34.11 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -166.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.49 -40.64 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 74.21 110.009 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -95.66 33.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.634 0.73 . . . . 62.21 109.547 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.54 -58.15 1.34 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.381 -0.827 . . . . 65.13 109.886 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.33 -61.76 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.35 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -84.58 15.31 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.38 0.61 . . . . 74.41 110.969 -178.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.75 -11.14 20.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 m 64.26 26.48 13.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.614 -1.176 . . . . 74.51 111.444 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 47' ' ' VAL . 5.5 p -93.34 89.56 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 121.934 0.873 . . . . 64.41 110.35 177.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.359 -0.829 . . . . 75.32 109.81 178.629 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.154 -0.313 . . . . 71.42 110.154 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.609 ' HB3' HD12 ' A' ' 8' ' ' LEU . 19.3 m -104.05 99.18 8.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.058 0.456 . . . . 75.21 110.351 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' HB2' HD23 ' A' ' 4' ' ' LEU . 72.9 mt -95.71 -48.27 5.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.4 110.963 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 3' ' ' LEU . 2.3 pt? -157.22 -166.79 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.251 -0.431 . . . . 53.54 109.946 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -65.94 0.54 Allowed 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.441 0.463 . . . . 54.21 109.888 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -84.55 72.13 10.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.67 0.748 . . . . 72.21 109.471 174.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.95 37.62 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.495 -1.23 . . . . 73.43 110.443 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 2' ' ' SER . 29.0 tp -95.54 -28.72 14.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.652 . . . . 65.31 109.579 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.96 -55.37 5.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.865 -1.061 . . . . 50.32 111.055 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.46 23.49 77.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.439 -0.664 . . . . 70.35 111.439 -174.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.46 -52.55 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 75.42 110.238 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.52 -36.27 68.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.295 -0.632 . . . . 70.42 109.295 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.79 -30.83 71.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.337 -0.847 . . . . 71.53 110.085 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.31 50.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 64.24 111.975 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.31 -27.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.837 -0.345 . . . . 70.11 111.527 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.83 -62.76 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.124 -0.56 . . . . 75.43 112.752 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.32 -12.86 64.98 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 62.12 112.787 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -58.78 -30.15 67.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.873 0.368 . . . . 54.23 111.941 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.58 19.43 9.09 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.566 -0.826 . . . . 52.02 112.413 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -119.04 99.42 6.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.172 -0.307 . . . . 71.15 110.172 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.6 mt -97.26 125.49 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.942 0.401 . . . . 61.4 110.294 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.18 -42.26 2.01 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.759 -0.936 . . . . 74.14 110.759 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -74.97 -22.42 58.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.445 0.641 . . . . 72.15 109.363 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.44 -15.47 57.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.879 . . . . 74.21 110.75 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.17 -31.01 58.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.29 -0.414 . . . . 73.53 111.299 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.732 ' HA ' HD21 ' A' ' 29' ' ' LEU . 9.3 p -89.29 -12.93 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.131 0.491 . . . . 53.3 110.537 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -48.53 81.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.73 -0.668 . . . . 63.25 110.834 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -54.7 -56.95 13.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.599 -0.728 . . . . 74.31 112.093 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.741 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.86 -25.08 68.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.529 -0.305 . . . . 54.11 111.777 -176.065 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 43.0 mt-10 -70.72 -66.71 0.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.469 . . . . 74.04 110.672 177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.9 m -67.66 -25.14 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 71.33 112.566 -171.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.5 t -82.96 -47.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.759 -0.376 . . . . 62.34 110.804 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.47 -43.94 52.14 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.905 -0.664 . . . . 65.44 112.955 -176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -83.03 -20.54 34.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.145 0.498 . . . . 61.25 110.27 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . -120.55 48.27 0.96 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.465 -0.874 . . . . 71.32 113.242 -175.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.34 79.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.239 0.542 . . . . 74.23 109.618 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.43 -27.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.71 -0.677 . . . . 62.42 110.013 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 25.7 t60 -61.93 -39.59 92.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.58 -0.736 . . . . 72.22 110.349 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.25 -42.12 60.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 74.21 110.844 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.66 -33.45 63.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.017 -0.538 . . . . 61.22 110.699 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -54.97 -42.27 72.17 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.709 -0.678 . . . . 73.11 111.033 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.82 -52.23 43.22 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.514 0.509 . . . . 64.14 112.162 -174.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.33 -45.58 82.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 64.34 111.01 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 tp -70.63 -31.78 68.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 65.43 111.718 -174.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -75.62 -37.34 59.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.231 -0.44 . . . . 72.32 111.366 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 p -90.85 -43.92 9.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 75.12 111.857 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -88.49 119.06 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 70.21 111.01 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' OXT' HD12 ' A' ' 48' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.44 -0.791 . . . . 71.22 110.451 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.064 0.459 . . . . 63.23 111.132 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.474 ' H ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m -137.32 144.47 42.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.006 -0.543 . . . . 74.42 109.862 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD22 ' H ' ' A' ' 3' ' ' LEU . 3.1 mm? -58.37 -34.87 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 74.21 111.151 -178.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -90.6 106.75 18.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.461 . . . . 64.41 110.651 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 69.09 -76.43 0.06 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.069 0.856 . . . . 74.34 112.672 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -80.04 50.42 1.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.116 0.784 . . . . 61.43 113.116 -167.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' HA3' ' H ' ' A' ' 2' ' ' SER . . . 156.53 29.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.314 -0.946 . . . . 63.22 113.399 171.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.4 tp -102.36 105.41 16.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.873 -0.418 . . . . 73.33 109.873 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -62.47 -46.75 87.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 55.12 111.884 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 20' ' ' LYS . . . -59.44 -33.53 76.76 Favored Glycine 0 CA--C 1.516 0.141 0 CA-C-N 116.019 -0.537 . . . . 71.34 113.502 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.44 5.0 50.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.7 0.286 . . . . 74.34 111.478 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -118.38 -57.26 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.705 -0.225 . . . . 72.4 111.278 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 57.72 26.65 13.3 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.558 0.537 . . . . 64.14 111.658 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 15' ' ' VAL . . . 63.24 71.0 0.52 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.777 -0.647 . . . . 51.22 111.632 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 14' ' ' ALA . 4.3 m 60.29 -35.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 126.163 1.785 . . . . 73.12 114.748 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 142.62 40.94 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.094 -0.574 . . . . 53.4 112.815 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.973 ' HA2' ' HE2' ' A' ' 20' ' ' LYS . . . -86.84 59.27 4.57 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.09 -0.576 . . . . 70.51 112.527 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 2.2 pt? -126.62 99.49 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.266 0.555 . . . . 71.33 110.661 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.87 -29.61 10.82 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.823 -0.703 . . . . 73.01 113.208 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.973 ' HE2' ' HA2' ' A' ' 17' ' ' GLY . 60.5 pttt -60.15 -39.5 86.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.894 0.378 . . . . 63.43 111.563 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.2 mt -113.87 19.46 16.59 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.355 -0.609 . . . . 75.45 109.355 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.71 -55.19 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.229 -0.896 . . . . 74.23 112.681 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -30.07 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 64.01 111.838 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.96 -6.94 41.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.196 0.522 . . . . 72.42 110.637 -172.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -12.03 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 43.01 111.608 -177.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.5 p -68.84 -22.85 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 70.14 110.635 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' SER . 32.7 mm-40 -64.52 -34.44 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.799 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.36 -14.87 60.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.536 . . . . 71.44 110.66 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -92.69 -76.17 0.47 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 73.2 111.542 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -96.92 -23.82 16.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.493 0.553 . . . . 64.4 112.493 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 21.6 t -69.94 -39.26 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 70.44 110.262 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.05 -28.1 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.343 -0.389 . . . . 74.4 110.388 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.5 -17.81 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.773 -0.649 . . . . 72.53 112.818 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -72.06 -28.42 63.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.272 0.558 . . . . 60.32 109.641 177.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 54.14 0.47 Allowed Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 111.097 -0.801 . . . . 74.03 111.097 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.56 63.61 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.803 0.335 . . . . 22.41 111.281 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 t -64.3 -23.0 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.325 0.583 . . . . 71.0 110.676 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -98.52 -48.98 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 74.34 110.196 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.01 -35.58 66.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.012 -0.54 . . . . 53.0 112.298 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG13 ' HG3' ' A' ' 41' ' ' LYS . 14.7 p -56.42 -33.4 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.689 0.28 . . . . 70.33 111.264 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG3' HG13 ' A' ' 40' ' ' VAL . 54.2 mtmt -100.63 -25.22 14.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.863 0.363 . . . . 65.2 110.694 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.94 -47.86 73.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 64.13 110.53 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.05 -35.02 69.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 65.44 110.392 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' HG12 ' A' ' 47' ' ' VAL . 73.9 mt -65.75 -33.38 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 61.54 110.742 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.78 -28.41 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 62.22 110.765 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 m -84.98 10.74 11.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 60.14 111.019 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 44' ' ' LEU . 9.3 p -142.01 15.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.926 0.869 . . . . 73.01 109.35 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.253 -0.885 . . . . 64.22 110.064 -177.055 . . . . . . . . 0 0 . 1 stop_ save_