data_2rmi_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 2rmi _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.55 -45.13 56.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 3.1 ptp180 -59.73 -40.97 89.8 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -37.93 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.24 -47.87 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.02 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.5 pp -67.85 -25.66 65.65 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.663 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mm-40 . . . . . 0 N--CA 1.445 -0.691 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -79.33 159.08 27.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.355 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.61 -59.05 0.23 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.67 -56.31 21.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.275 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -32.56 18.01 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.473 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ALA . 37.5 tp -90.63 -49.0 6.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.923 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.66 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 109.947 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -80.76 -41.75 22.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.44 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.886 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 2.3 tt0 -69.65 -33.44 72.61 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.249 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -65.81 -41.85 91.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -61.65 -26.41 67.99 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.175 177.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.886 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -93.7 -44.03 8.36 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -58.6 -43.36 89.51 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -31.46 48.51 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.381 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -76.95 -54.66 6.28 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.541 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 1.3 mt . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.698 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 37' ' ' LEU . 1.4 mp -84.74 -36.68 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.694 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.72 -48.04 15.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -68.7 -40.47 80.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.195 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.25 -36.09 76.79 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.905 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.33 -47.51 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.649 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -60.92 -31.85 71.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.441 -0.503 . . . . 0.0 109.958 178.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.447 -0.6 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.018 178.113 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -64.3 159.66 20.5 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.099 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.56 -60.95 0.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.485 0.183 . . . . 0.0 110.731 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -56.76 -58.02 9.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.162 179.046 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -46.58 -35.58 6.0 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.528 179.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -89.55 -49.97 6.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.22 48.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.512 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.86 -42.04 25.05 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.897 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -71.84 -37.98 70.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.483 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.47 95.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -54.4 -29.59 49.42 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.897 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -90.57 -53.14 4.55 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.1 t-20 -53.2 -43.54 67.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -29.72 60.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.778 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -81.28 -47.14 13.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' ' 33' ' ' LYS . 20.7 mt . . . . . 0 CA--C 1.533 0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.87 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.61 -28.48 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.007 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 122.047 0.927 . . . . 0.0 111.879 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.42 0.152 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.62 -49.3 73.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.945 0.403 . . . . 0.0 110.214 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.5 mp0 -66.51 -35.95 81.52 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -43.57 56.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.093 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.99 -26.28 66.73 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.659 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.6 tpp85 -86.11 158.29 19.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.916 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.66 -59.06 0.3 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.261 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.4 tt0 -53.67 -48.42 69.48 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.58 0.352 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.96 -19.05 62.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.558 0.218 . . . . 0.0 111.5 179.52 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.8 tp -99.12 -51.91 3.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.75 60.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 0.0 110.626 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -77.39 -41.46 39.98 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.076 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 19.4 tp10 -76.44 -35.99 58.21 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.042 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.3 84.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.52 -26.3 61.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.037 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.11 -50.18 5.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.815 179.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -45.58 70.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.666 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.25 -27.97 64.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.35 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.545 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 38.5 mttm -73.78 -54.32 8.29 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 109.823 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 ' HG2' ' A' ' 33' ' ' LYS . 4.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.588 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mt -81.89 -36.52 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.048 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.643 179.452 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -43.46 -52.21 6.19 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.457 0.303 . . . . 0.0 111.556 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 4.9 ptm180 -57.79 -46.24 84.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.158 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.598 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.89 -47.53 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.0 pp -69.77 -22.71 63.32 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.884 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.5 mt-10 . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -89.1 151.65 22.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.292 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.19 -57.07 0.29 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.7 mt-10 -55.58 -40.13 71.61 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -61.55 -23.79 66.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.4 tp -108.85 -43.58 4.2 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.896 -0.138 . . . . 0.0 110.843 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.9 -38.87 23.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.517 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -82.64 -35.77 26.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.89 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -73.83 -35.22 64.81 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.859 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -40.09 69.51 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -61.53 -24.9 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.128 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.89 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.08 -52.03 4.58 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.47 -49.15 62.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -50.78 -31.64 17.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.988 178.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 37.3 mttm -76.81 -53.78 7.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.347 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 178.64 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -94.43 -28.1 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.619 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.217 0.532 . . . . 0.0 111.624 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.08 -51.78 9.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.687 0.28 . . . . 0.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -45.97 78.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.41 -41.28 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.043 0.449 . . . . 0.0 110.197 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.22 -45.24 76.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.065 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 8.0 mt -60.37 -33.01 71.84 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.813 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -86.34 161.71 18.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.85 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.91 -58.95 0.25 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -58.14 -72.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.026 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -45.98 2.01 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.28 -57.99 6.32 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.279 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.416 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 38.3 mm-40 -72.39 -47.33 50.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.027 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.9 tp10 -72.66 -40.88 65.98 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -59.49 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -26.26 55.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.859 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.908 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.61 -51.46 5.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.888 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HB2' ' OE1' ' A' ' 30' ' ' GLU . 6.8 t-20 -49.33 -50.46 39.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.004 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 7.2 mmp_? -55.17 -24.45 26.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.678 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -82.67 -52.63 6.61 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-O 120.808 0.337 . . . . 0.0 111.049 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.464 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.623 179.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 121.144 0.497 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.6 mt -90.52 -32.97 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.127 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.958 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 mt -48.03 -49.93 29.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.571 0.224 . . . . 0.0 110.973 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -58.26 -40.18 81.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.75 0.31 . . . . 0.0 111.061 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.98 -32.17 66.99 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.059 0.456 . . . . 0.0 110.264 178.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.95 45.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.846 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 3.7 pp -68.48 -27.57 66.26 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.113 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.826 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.918 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLU . 5.5 ttm180 -65.33 157.09 30.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.36 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.62 -60.52 0.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.718 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -53.59 -46.82 70.49 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.177 179.081 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -59.36 -11.92 5.02 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' ALA . 14.1 tp -117.53 -49.76 2.55 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.41 -0.181 . . . . 0.0 110.789 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.63 47.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.663 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -88.37 -31.28 18.96 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.317 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.894 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tp10 -77.59 -30.17 52.35 Favored 'General case' 0 CA--C 1.527 0.07 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.816 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.01 -38.01 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.164 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -66.17 -23.57 66.49 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.678 178.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.894 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.7 ptmm? -95.01 -46.97 6.6 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -54.39 -48.59 71.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.309 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -31.65 14.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.073 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 22.4 mttt -77.53 -54.47 6.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.777 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.235 0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.643 178.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.232 0.166 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.1 mt -81.16 -34.05 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.439 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 41' ' ' ILE . 40.2 mm . . . . . 0 N--CA 1.461 0.09 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.75 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.24 -49.88 22.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.659 0.266 . . . . 0.0 111.22 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 12.9 ptm180 -60.29 -35.72 76.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.3 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -34.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 0.0 109.709 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.41 -46.73 75.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.905 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.6 pp -66.55 -25.75 66.8 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.595 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.019 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -83.22 160.25 21.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.637 179.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.94 -59.78 0.31 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.537 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.3 tm-20 -54.72 -63.64 1.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.012 0.195 . . . . 0.0 110.989 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -40.18 -54.73 2.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 31' ' ' ALA . 39.8 tp -69.24 -49.88 52.23 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.783 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.64 50.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.105 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -81.66 -41.98 20.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.405 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.893 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -70.27 -31.07 68.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.74 -36.01 77.82 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.949 -0.469 . . . . 0.0 109.926 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.458 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -66.82 -23.95 66.11 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.381 177.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.893 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.5 ptmm? -94.45 -48.81 5.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -41.98 71.37 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -26.46 60.98 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -85.25 -52.82 5.64 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.03 0.443 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mm -87.38 -34.69 7.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.964 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.849 0.357 . . . . 0.0 111.213 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mp -46.81 -52.18 14.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.228 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.96 97.81 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.715 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.55 -42.74 71.29 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.207 0.527 . . . . 0.0 109.91 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.51 -45.71 81.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.15 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 9.3 mt -59.32 -33.97 71.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.924 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.907 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.27 163.23 15.76 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.003 178.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.16 -61.56 0.28 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -54.69 -59.94 4.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.754 178.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -44.64 -41.78 6.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' ALA . 19.5 tp -80.33 -51.24 9.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.7 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.941 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 1.8 pt20 -84.26 -39.57 19.09 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 110.776 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.883 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 2.2 tp10 -75.95 -33.92 59.82 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.354 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -56.39 -40.86 75.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.966 0.348 . . . . 0.0 110.09 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -60.63 -26.52 67.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.754 177.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.883 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -91.09 -52.59 4.76 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.677 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -40.8 64.86 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.872 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.87 -30.74 66.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.438 0.161 . . . . 0.0 110.783 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 20.3 mmtp -76.34 -52.16 10.48 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.424 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.5 mt . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.48 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -88.89 -35.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.993 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.53 -52.93 26.35 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.754 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.05 -37.46 74.43 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.063 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -41.95 87.89 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.169 0.509 . . . . 0.0 109.856 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -44.16 77.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.628 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.82 -34.24 72.81 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.184 178.587 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -71.43 160.77 32.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.08 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . . . 66.83 -59.22 0.38 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.8 tt0 -55.89 -56.41 21.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.077 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.401 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.38 -31.62 15.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.612 0.244 . . . . 0.0 111.602 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -90.68 -50.31 5.98 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.146 -0.221 . . . . 0.0 110.879 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.48 -37.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.801 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -73.62 -43.78 58.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 18.6 tp10 -78.03 -35.36 49.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.077 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.675 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -57.21 -47.29 81.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 t60 -52.1 -28.32 17.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.325 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.5 -45.71 7.64 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.405 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -50.81 56.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.395 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 5.7 mmm180 -58.75 -24.15 61.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.305 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 33.5 mmtm -74.56 -54.62 7.13 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.053 0.454 . . . . 0.0 110.133 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.242 178.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.211 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mt -90.08 -36.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.657 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.46 0.171 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -46.82 -49.76 19.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.688 0.28 . . . . 0.0 111.428 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.595 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -42.78 99.04 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.404 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -66.92 -35.91 81.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.401 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -44.07 48.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.665 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.595 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.4 pp -69.27 -25.66 64.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.3 mt-10 . . . . . 0 N--CA 1.445 -0.718 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.973 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -79.21 150.48 31.61 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.95 -59.1 0.25 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.4 mt-10 -51.95 -62.24 1.76 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.148 0.28 . . . . 0.0 111.241 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -41.68 -55.94 2.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.943 0.152 . . . . 0.0 111.218 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 tp -68.31 -48.28 65.33 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.83 -39.31 52.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.746 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.97 -42.73 23.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.006 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.876 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 8.0 tm-20 -63.78 -35.92 82.18 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -64.03 -32.17 73.62 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.935 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -73.93 -20.82 60.26 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.44 177.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.876 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.84 -39.14 7.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.704 0.288 . . . . 0.0 110.288 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.77 -48.78 80.29 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -54.45 -27.63 38.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.237 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -77.08 -56.6 4.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.598 0.237 . . . . 0.0 111.183 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.394 179.472 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.986 0.422 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.46 -26.59 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.111 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.988 0.899 . . . . 0.0 111.716 179.664 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 111.346 0.128 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.26 -53.57 27.43 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.253 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.4 ptm180 -62.23 -38.49 89.42 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -43.18 77.18 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.0 -45.55 80.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.833 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 6.9 mt -60.28 -32.94 71.66 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -0.995 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HB2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -67.47 153.89 42.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.066 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.47 -60.38 0.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.441 0.163 . . . . 0.0 110.764 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -53.27 -52.07 60.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.952 178.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.508 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 2.2 pp0? -47.22 -34.04 6.04 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.887 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' ALA . 43.7 tp -100.19 -43.14 6.41 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.529 -0.107 . . . . 0.0 111.041 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.61 22.12 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.657 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -83.01 -39.73 20.89 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.293 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.3 tp10 -69.54 -30.85 68.77 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.374 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -58.59 -33.98 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.993 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.0 t60 -69.38 -21.38 63.79 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.862 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.4 ptmm? -100.8 -45.76 5.36 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -42.94 80.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 12.9 mmp_? -61.23 -26.51 67.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.246 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -73.86 -55.17 6.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.675 0.274 . . . . 0.0 110.562 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.968 178.082 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.461 0.124 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -89.24 -35.5 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.488 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.231 0.539 . . . . 0.0 110.935 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt 68.27 -65.86 0.25 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.64 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 ptp180 -63.71 -37.56 87.82 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -36.23 80.53 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.135 0.493 . . . . 0.0 110.234 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.24 -47.07 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.546 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.54 -25.43 66.66 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.644 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.8 tpp85 -76.48 164.02 26.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.027 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.19 -61.17 0.29 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.935 -0.121 . . . . 0.0 110.873 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -54.95 -51.99 64.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.839 178.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.4 pp0? -50.67 -29.69 11.79 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.598 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 27.9 tp -96.73 -48.21 5.57 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.66 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -36.46 33.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.73 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -82.93 -39.85 20.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.948 0.404 . . . . 0.0 110.512 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tt0 -73.41 -31.08 63.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.812 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -62.53 -34.67 77.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.583 -0.698 . . . . 0.0 110.246 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.46 -22.36 62.69 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.71 -41.98 7.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.63 -49.42 75.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.408 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -50.4 -30.2 11.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -77.25 -56.61 4.41 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.914 0.387 . . . . 0.0 110.327 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.301 178.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mm -97.98 -31.53 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.413 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 120.824 0.345 . . . . 0.0 111.032 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.52 -50.37 62.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 110.39 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 4.8 ptm180 -70.22 -39.34 75.17 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.056 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.553 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -64.2 -37.88 89.06 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.846 0.355 . . . . 0.0 111.206 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -44.18 60.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.782 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.0 pp -69.86 -24.71 63.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -75.11 160.05 30.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.96 -60.59 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.327 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -54.28 -49.19 70.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.978 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -48.9 -33.85 11.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.408 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 32.2 tp -98.03 -45.5 6.23 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.612 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.87 -38.72 23.31 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.673 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -80.89 -37.75 29.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -72.97 -37.91 66.88 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 179.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.78 76.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -56.45 -27.64 57.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.033 178.028 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -95.17 -49.15 5.63 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.27 -44.79 65.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.031 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -58.48 -26.12 63.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 51.8 mttm -83.04 -47.3 11.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.605 0.241 . . . . 0.0 111.424 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD13 ' HD3' ' A' ' 33' ' ' LYS . 19.6 mt . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.879 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 121.126 0.488 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mt -95.52 -33.38 4.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.953 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.089 0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.56 -55.89 2.21 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 2.4 ptp180 -61.75 -42.51 99.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.434 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -38.93 86.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 109.98 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.43 -47.51 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.236 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 16' ' ' ARG . 1.6 pp -67.94 -25.34 65.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.512 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -61.15 152.28 28.98 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.134 177.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.5 -59.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.324 -0.15 . . . . 0.0 111.107 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -57.08 -66.97 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 179.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -42.71 -44.07 4.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.765 0.317 . . . . 0.0 110.705 179.043 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.16 -56.98 6.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.36 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.692 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 37.9 mm-40 -76.12 -46.16 30.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.595 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 24.8 tp10 -73.0 -38.27 66.67 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.504 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.98 96.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -25.6 60.55 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.959 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.51 -51.09 5.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.891 178.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 5.1 t30 -52.12 -43.58 64.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.996 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -56.31 -28.64 59.52 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -79.78 -55.92 4.65 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.641 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 N--CA 1.467 0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.601 179.713 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -86.25 -35.12 8.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.5 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 179.769 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 1.3 pt? -48.59 -43.03 35.61 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 6.0 ptm180 -76.67 -40.73 48.04 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.447 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 mp0 -62.26 -37.8 86.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -45.77 73.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.915 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.6 pp -68.11 -26.67 65.92 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.064 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.1 mt-10 . . . . . 0 N--CA 1.441 -0.877 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.126 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.6 tpp85 -63.61 154.49 32.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.49 -61.39 0.36 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -54.79 -49.94 69.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.502 178.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.5 pp0? -48.08 -35.42 11.28 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.531 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 31' ' ' ALA . 44.3 tp -97.07 -44.39 7.0 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.935 -0.12 . . . . 0.0 110.878 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.08 16.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.697 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -82.99 -39.16 21.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.435 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp10 -71.12 -28.01 64.0 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.17 -39.05 88.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -61.56 -25.86 67.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.543 178.025 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 ptmm? -96.73 -46.74 6.16 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.65 -45.76 77.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 6.0 mmp_? -56.38 -26.92 54.62 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.148 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -78.92 -57.36 3.79 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.59 0.233 . . . . 0.0 110.858 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.466 0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.369 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mt -102.2 -27.74 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.613 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.441 0.162 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -48.41 77.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.149 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.94 -38.02 85.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.763 178.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -67.25 -34.86 78.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -44.14 55.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.2 pp -67.2 -27.64 67.43 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.153 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.0 mm-40 . . . . . 0 N--CA 1.445 -0.7 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.713 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.6 tpp85 -73.13 160.34 32.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.23 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.35 -60.7 0.25 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.454 0.168 . . . . 0.0 111.024 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.0 tt0 -54.97 -50.75 68.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.467 0.307 . . . . 0.0 110.886 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -54.03 -28.55 39.08 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.694 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 17.1 tp -97.99 -46.11 6.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 117.087 -0.051 . . . . 0.0 111.071 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.85 54.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.141 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -81.71 -35.53 29.67 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.892 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.3 tt0 -74.97 -36.35 62.05 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.496 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' ARG . . . -54.26 -43.59 71.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.444 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 1.3 t60 -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.723 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.892 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.06 -43.6 6.29 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.924 179.511 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.61 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.5 -38.28 90.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 13.2 mmm-85 -60.98 -27.72 68.49 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 22.9 mmtm -77.15 -52.46 9.23 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.436 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.535 0.366 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.288 179.778 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 121.034 0.445 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mt -90.7 -34.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--O 1.232 0.161 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -54.87 14.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.619 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 14.5 ptm180 -64.32 -33.27 75.44 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.303 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.36 -40.85 98.39 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -42.09 81.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.619 ' CD1' ' HA ' ' A' ' 16' ' ' ARG . 10.5 mt -58.66 -34.9 71.76 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.295 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.909 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' GLU . 8.7 tpp180 -67.79 160.95 27.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.774 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.44 -61.83 0.34 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.581 0.229 . . . . 0.0 110.763 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.6 tt0 -55.16 -49.51 71.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.4 pp0? -57.86 -15.73 9.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.37 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 12.9 tp -114.45 -46.05 2.99 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 117.472 0.124 . . . . 0.0 111.212 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -38.31 46.18 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -81.52 -36.57 29.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.881 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 5.6 tm-20 -71.22 -36.79 71.98 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.12 78.23 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.166 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -70.32 -22.02 62.86 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.881 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.36 -37.77 8.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.606 0.241 . . . . 0.0 110.517 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -61.6 -47.83 83.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -53.34 -30.32 38.74 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mmtm -73.24 -53.46 10.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mt -102.29 -27.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.158 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.8 mm . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.926 0.869 . . . . 0.0 112.004 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.383 0.135 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -47.38 77.98 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -64.13 -40.24 95.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.171 178.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.646 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -62.6 -37.89 88.01 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.16 -47.9 76.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.458 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.2 pp -70.21 -22.82 62.89 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.311 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.7 mt-10 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -89.77 150.12 22.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.043 179.063 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.13 -56.9 0.23 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -56.8 -64.34 0.91 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 122.979 0.174 . . . . 0.0 111.253 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.41 -57.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 122.94 0.15 . . . . 0.0 111.326 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.2 -49.65 66.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.81 56.75 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.231 -0.587 . . . . 0.0 109.882 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -77.52 -42.97 33.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.99 -35.88 77.21 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.79 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.33 62.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -58.53 -27.64 64.72 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.385 177.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.9 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -98.55 -46.01 5.89 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.75 -44.89 70.36 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.921 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.88 -27.32 63.17 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.198 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -80.45 -46.58 15.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.368 . . . . 0.0 111.439 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.698 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' ILE . 27.2 mt -99.93 -30.71 3.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.34 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 40' ' ' ILE . 1.7 tt . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 122.675 0.39 . . . . 0.0 111.753 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -57.43 5.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -56.36 -46.59 79.95 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -43.43 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 110.352 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -43.01 69.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.068 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 1.9 mt -62.43 -33.65 75.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.803 178.426 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 3.6 tpp85 -66.57 157.39 32.45 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.297 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.21 -60.87 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.767 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -53.31 -50.21 65.42 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -53.8 -22.78 10.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.841 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.2 tp -106.25 -45.78 4.22 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.457 -0.152 . . . . 0.0 110.867 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -37.71 34.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.71 0.29 . . . . 0.0 110.651 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -82.55 -39.58 22.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 109.979 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.886 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -67.8 -36.73 80.94 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.124 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -57.18 -41.64 79.69 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -60.17 -26.55 66.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.897 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.886 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.47 -53.63 4.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.38 -46.87 47.82 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.871 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -54.58 -28.58 47.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -80.97 -50.29 9.9 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.329 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 83.9 mt . . . . . 0 CA--C 1.533 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.959 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 120.986 0.422 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.98 -28.57 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.807 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.806 0.336 . . . . 0.0 111.624 -179.668 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 111.385 0.143 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -47.22 47.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 111.216 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 2.6 ptp180 -60.07 -40.51 89.77 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -37.72 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.137 0.494 . . . . 0.0 109.971 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.21 -47.44 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.6 pp -67.09 -25.3 66.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.0 mm-40 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.79 155.37 38.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.542 178.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.69 -58.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -52.55 -52.14 56.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.175 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -53.39 -24.49 12.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ALA . 20.9 tp -100.14 -48.66 4.55 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -36.92 39.87 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.8 0.333 . . . . 0.0 110.611 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -82.14 -40.25 22.09 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.043 0.449 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.891 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 tt0 -71.78 -32.75 67.97 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.655 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.14 -34.18 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.596 -0.69 . . . . 0.0 110.391 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.33 -22.42 61.92 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.516 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.891 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -99.59 -41.57 7.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.815 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -44.27 96.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.92 -31.62 50.85 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.49 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -72.73 -55.42 6.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.922 177.8 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -87.25 -34.91 7.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.237 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.756 179.566 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -73.43 173.35 9.73 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.266 0.555 . . . . 0.0 110.967 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 7.2 mt 67.96 -62.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.55 -45.13 56.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 3.1 ptp180 -59.73 -40.97 89.8 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -37.93 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.24 -47.87 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.02 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.5 pp -67.85 -25.66 65.65 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.663 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mm-40 -82.58 -27.39 31.56 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.448 ' HE3' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.96 58.32 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.007 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -79.33 159.08 27.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.355 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.61 -59.05 0.23 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.67 -56.31 21.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.275 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -32.56 18.01 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.473 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ALA . 37.5 tp -90.63 -49.0 6.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.923 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.66 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 109.947 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -80.76 -41.75 22.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.44 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.886 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 2.3 tt0 -69.65 -33.44 72.61 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.249 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -65.81 -41.85 91.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -61.65 -26.41 67.99 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.175 177.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.886 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -93.7 -44.03 8.36 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -58.6 -43.36 89.51 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -31.46 48.51 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.381 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -76.95 -54.66 6.28 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.541 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 1.3 mt -57.66 -21.11 38.01 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.698 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -35.6 73.93 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 37' ' ' LEU . 1.4 mp -84.74 -36.68 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.694 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 1.3 m80 -116.23 166.35 12.13 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.23 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -116.66 -89.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.72 -48.04 15.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -68.7 -40.47 80.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.195 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.25 -36.09 76.79 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.905 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.33 -47.51 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.649 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -60.92 -31.85 71.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.441 -0.503 . . . . 0.0 109.958 178.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.81 -28.46 50.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.018 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -73.67 -38.63 64.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.095 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -64.3 159.66 20.5 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.099 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.56 -60.95 0.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.485 0.183 . . . . 0.0 110.731 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -56.76 -58.02 9.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.162 179.046 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -46.58 -35.58 6.0 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.528 179.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -89.55 -49.97 6.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.22 48.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.512 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.86 -42.04 25.05 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.897 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -71.84 -37.98 70.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.483 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.47 95.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -54.4 -29.59 49.42 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.897 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -90.57 -53.14 4.55 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.1 t-20 -53.2 -43.54 67.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -29.72 60.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.778 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -81.28 -47.14 13.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' ' 33' ' ' LYS . 20.7 mt -48.5 -26.8 2.33 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.87 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.24 -23.7 54.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.61 -28.48 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.007 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 122.047 0.927 . . . . 0.0 111.879 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.6 p80 -68.1 178.39 1.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.5 0.666 . . . . 0.0 111.628 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 27.5 mt 70.41 -62.99 0.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.784 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.62 -49.3 73.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.945 0.403 . . . . 0.0 110.214 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.5 mp0 -66.51 -35.95 81.52 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -43.57 56.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.093 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.99 -26.28 66.73 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.659 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.9 27.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.02 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.6 tpp85 -86.11 158.29 19.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.916 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.66 -59.06 0.3 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.261 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.4 tt0 -53.67 -48.42 69.48 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.58 0.352 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.96 -19.05 62.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.558 0.218 . . . . 0.0 111.5 179.52 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.8 tp -99.12 -51.91 3.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.75 60.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 0.0 110.626 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -77.39 -41.46 39.98 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.076 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 19.4 tp10 -76.44 -35.99 58.21 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.042 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.3 84.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.52 -26.3 61.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.037 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.11 -50.18 5.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.815 179.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -45.58 70.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.666 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.25 -27.97 64.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.35 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.545 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 38.5 mttm -73.78 -54.32 8.29 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 109.823 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 ' HG2' ' A' ' 33' ' ' LYS . 4.2 mt -68.34 -13.76 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.588 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.33 -34.97 75.44 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mt -81.89 -36.52 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.048 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.643 179.452 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.87 170.75 9.06 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.14 0.495 . . . . 0.0 110.993 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 17.7 mt 67.82 -59.09 0.43 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.538 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -43.46 -52.21 6.19 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.457 0.303 . . . . 0.0 111.556 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 4.9 ptm180 -57.79 -46.24 84.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.158 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.598 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.89 -47.53 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.0 pp -69.77 -22.71 63.32 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.884 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.5 mt-10 -82.74 -28.22 30.56 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.415 ' O ' ' HB2' ' A' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.89 -19.93 53.85 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.224 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -89.1 151.65 22.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.292 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.19 -57.07 0.29 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.7 mt-10 -55.58 -40.13 71.61 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -61.55 -23.79 66.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.4 tp -108.85 -43.58 4.2 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.896 -0.138 . . . . 0.0 110.843 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.9 -38.87 23.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.517 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -82.64 -35.77 26.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.89 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -73.83 -35.22 64.81 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.859 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -40.09 69.51 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -61.53 -24.9 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.128 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.89 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.08 -52.03 4.58 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.47 -49.15 62.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -50.78 -31.64 17.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.988 178.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 37.3 mttm -76.81 -53.78 7.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.347 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.07 -21.77 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . 0.432 ' HA ' HG21 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.95 -22.49 36.65 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -94.43 -28.1 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.619 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG21 ' HA ' ' A' ' 38' ' ' NLE . 16.2 tt . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.217 0.532 . . . . 0.0 111.624 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -118.16 177.21 4.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.015 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 18.9 mt 69.82 -57.34 0.55 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.818 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.08 -51.78 9.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.687 0.28 . . . . 0.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -45.97 78.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.41 -41.28 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.043 0.449 . . . . 0.0 110.197 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.22 -45.24 76.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.065 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 8.0 mt -60.37 -33.01 71.84 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -26.03 36.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.813 178.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -23.42 59.01 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.922 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -86.34 161.71 18.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.85 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.91 -58.95 0.25 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -58.14 -72.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.026 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -45.98 2.01 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.28 -57.99 6.32 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.279 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.416 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 38.3 mm-40 -72.39 -47.33 50.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.027 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.9 tp10 -72.66 -40.88 65.98 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -59.49 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -26.26 55.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.859 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.908 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.61 -51.46 5.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.888 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HB2' ' OE1' ' A' ' 30' ' ' GLU . 6.8 t-20 -49.33 -50.46 39.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.004 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 7.2 mmp_? -55.17 -24.45 26.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.678 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -82.67 -52.63 6.61 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-O 120.808 0.337 . . . . 0.0 111.049 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.67 -23.17 10.53 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.623 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -34.35 64.92 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.144 0.497 . . . . 0.0 109.811 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.6 mt -90.52 -32.97 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.127 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.958 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -122.14 165.83 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.37 -57.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 mt -48.03 -49.93 29.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.571 0.224 . . . . 0.0 110.973 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -58.26 -40.18 81.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.75 0.31 . . . . 0.0 111.061 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.98 -32.17 66.99 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.059 0.456 . . . . 0.0 110.264 178.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.95 45.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.846 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 3.7 pp -68.48 -27.57 66.26 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.113 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.55 -29.88 61.53 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.918 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.409 ' CE ' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.9 -35.0 69.59 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLU . 5.5 ttm180 -65.33 157.09 30.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.36 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.62 -60.52 0.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.718 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -53.59 -46.82 70.49 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.177 179.081 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -59.36 -11.92 5.02 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' ALA . 14.1 tp -117.53 -49.76 2.55 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.41 -0.181 . . . . 0.0 110.789 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.63 47.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.663 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -88.37 -31.28 18.96 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.317 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.894 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tp10 -77.59 -30.17 52.35 Favored 'General case' 0 CA--C 1.527 0.07 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.816 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.01 -38.01 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.164 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -66.17 -23.57 66.49 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.678 178.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.894 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.7 ptmm? -95.01 -46.97 6.6 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -54.39 -48.59 71.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.309 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -31.65 14.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.073 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 22.4 mttt -77.53 -54.47 6.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.777 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.22 -23.3 34.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.643 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.52 -36.32 68.29 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.1 mt -81.16 -34.05 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.439 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 41' ' ' ILE . 40.2 mm . . . . . 0 N--CA 1.461 0.09 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.75 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 29.4 m-70 -65.76 170.65 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 37.2 mt 68.25 -60.28 0.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.701 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.24 -49.88 22.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.659 0.266 . . . . 0.0 111.22 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 12.9 ptm180 -60.29 -35.72 76.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.3 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -34.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 0.0 109.709 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.41 -46.73 75.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.905 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.6 pp -66.55 -25.75 66.8 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.595 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -80.28 -27.51 38.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.514 ' CE ' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -76.03 -23.19 55.15 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.4 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -83.22 160.25 21.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.637 179.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.94 -59.78 0.31 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.537 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.3 tm-20 -54.72 -63.64 1.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.012 0.195 . . . . 0.0 110.989 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -40.18 -54.73 2.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 31' ' ' ALA . 39.8 tp -69.24 -49.88 52.23 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.783 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.64 50.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.105 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -81.66 -41.98 20.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.405 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.893 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -70.27 -31.07 68.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.74 -36.01 77.82 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.949 -0.469 . . . . 0.0 109.926 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.458 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -66.82 -23.95 66.11 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.381 177.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.893 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.5 ptmm? -94.45 -48.81 5.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -41.98 71.37 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -26.46 60.98 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -85.25 -52.82 5.64 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -50.37 -24.47 3.04 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . 0.449 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -28.6 61.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.03 0.443 . . . . 0.0 110.152 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mm -87.38 -34.69 7.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.964 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CG2' ' HA ' ' A' ' 38' ' ' NLE . 13.8 tt . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.849 0.357 . . . . 0.0 111.213 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -123.12 168.21 12.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 13' ' ' HIS . 1.4 mt -146.14 -77.95 0.18 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.36 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mp -46.81 -52.18 14.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.228 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.96 97.81 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.715 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.55 -42.74 71.29 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.207 0.527 . . . . 0.0 109.91 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.51 -45.71 81.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.15 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 9.3 mt -59.32 -33.97 71.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.924 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -27.32 54.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.907 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -75.55 -41.82 53.89 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.319 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.27 163.23 15.76 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.003 178.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.16 -61.56 0.28 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -54.69 -59.94 4.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.754 178.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -44.64 -41.78 6.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' ALA . 19.5 tp -80.33 -51.24 9.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.7 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.941 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 1.8 pt20 -84.26 -39.57 19.09 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 110.776 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.883 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 2.2 tp10 -75.95 -33.92 59.82 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.354 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -56.39 -40.86 75.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.966 0.348 . . . . 0.0 110.09 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -60.63 -26.52 67.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.754 177.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.883 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -91.09 -52.59 4.76 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.677 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -40.8 64.86 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.872 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.87 -30.74 66.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.438 0.161 . . . . 0.0 110.783 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 20.3 mmtp -76.34 -52.16 10.48 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.424 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.5 mt -53.59 -24.97 15.42 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.48 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -35.92 70.33 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -88.89 -35.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.993 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 160.13 20.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -157.01 -66.05 0.1 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.764 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.53 -52.93 26.35 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.754 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.05 -37.46 74.43 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.063 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -41.95 87.89 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.169 0.509 . . . . 0.0 109.856 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -44.16 77.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.628 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.82 -34.24 72.81 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.84 -26.99 60.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.184 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.13 -34.9 64.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.602 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -71.43 160.77 32.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.08 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . . . 66.83 -59.22 0.38 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.8 tt0 -55.89 -56.41 21.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.077 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.38 -31.62 15.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.612 0.244 . . . . 0.0 111.602 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -90.68 -50.31 5.98 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.146 -0.221 . . . . 0.0 110.879 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.48 -37.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.801 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -73.62 -43.78 58.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 18.6 tp10 -78.03 -35.36 49.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.077 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.675 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -57.21 -47.29 81.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 t60 -52.1 -28.32 17.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.325 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.5 -45.71 7.64 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.405 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -50.81 56.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.395 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 5.7 mmm180 -58.75 -24.15 61.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.305 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 33.5 mmtm -74.56 -54.62 7.13 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.053 0.454 . . . . 0.0 110.133 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.97 -9.49 52.48 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.242 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -33.69 74.3 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mt -90.08 -36.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.657 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 164.68 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.8 -63.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.46 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -46.82 -49.76 19.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.688 0.28 . . . . 0.0 111.428 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.595 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -42.78 99.04 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.404 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -66.92 -35.91 81.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.401 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -44.07 48.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.665 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.595 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.4 pp -69.27 -25.66 64.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.3 mt-10 -74.0 -30.65 62.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.973 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -76.49 -29.11 56.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.721 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -79.21 150.48 31.61 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.95 -59.1 0.25 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' NLE . 6.4 mt-10 -51.95 -62.24 1.76 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.148 0.28 . . . . 0.0 111.241 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -41.68 -55.94 2.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.943 0.152 . . . . 0.0 111.218 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 tp -68.31 -48.28 65.33 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.83 -39.31 52.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.746 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.97 -42.73 23.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.006 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.876 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 8.0 tm-20 -63.78 -35.92 82.18 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -64.03 -32.17 73.62 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.935 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -73.93 -20.82 60.26 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.44 177.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.876 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.84 -39.14 7.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.704 0.288 . . . . 0.0 110.288 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.77 -48.78 80.29 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -54.45 -27.63 38.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.237 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -77.08 -56.6 4.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.598 0.237 . . . . 0.0 111.183 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.99 -19.5 18.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.394 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . 0.438 ' O ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -27.82 58.49 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.986 0.422 . . . . 0.0 110.393 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.46 -26.59 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.111 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 38' ' ' NLE . 19.8 mm . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.988 0.899 . . . . 0.0 111.716 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.04 171.44 10.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.132 0.491 . . . . 0.0 111.393 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 mt -150.16 -73.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.346 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.26 -53.57 27.43 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.253 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.4 ptm180 -62.23 -38.49 89.42 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -43.18 77.18 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.0 -45.55 80.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.833 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 6.9 mt -60.28 -32.94 71.66 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.82 -26.27 44.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.66 62.58 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HB2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -67.47 153.89 42.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.066 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.47 -60.38 0.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.441 0.163 . . . . 0.0 110.764 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -53.27 -52.07 60.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.952 178.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.508 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 2.2 pp0? -47.22 -34.04 6.04 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.887 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' ALA . 43.7 tp -100.19 -43.14 6.41 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.529 -0.107 . . . . 0.0 111.041 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.61 22.12 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.657 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -83.01 -39.73 20.89 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.293 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.3 tp10 -69.54 -30.85 68.77 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.374 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -58.59 -33.98 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.993 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.0 t60 -69.38 -21.38 63.79 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.862 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.4 ptmm? -100.8 -45.76 5.36 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -42.94 80.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 12.9 mmp_? -61.23 -26.51 67.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.246 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -73.86 -55.17 6.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.675 0.274 . . . . 0.0 110.562 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.5 -22.87 56.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.968 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -37.45 71.9 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -89.24 -35.5 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.488 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.231 0.539 . . . . 0.0 110.935 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -124.42 161.37 26.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.326 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 1.8 pp 173.06 147.37 0.05 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt 68.27 -65.86 0.25 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.64 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 ptp180 -63.71 -37.56 87.82 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -67.57 -36.23 80.53 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.135 0.493 . . . . 0.0 110.234 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.24 -47.07 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.546 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.54 -25.43 66.66 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.644 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -86.97 -26.11 23.98 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.78 68.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.8 tpp85 -76.48 164.02 26.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.027 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.19 -61.17 0.29 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.935 -0.121 . . . . 0.0 110.873 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -54.95 -51.99 64.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.839 178.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.4 pp0? -50.67 -29.69 11.79 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.598 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 27.9 tp -96.73 -48.21 5.57 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.66 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -36.46 33.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.73 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -82.93 -39.85 20.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.948 0.404 . . . . 0.0 110.512 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tt0 -73.41 -31.08 63.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.812 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -62.53 -34.67 77.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.583 -0.698 . . . . 0.0 110.246 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.46 -22.36 62.69 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.71 -41.98 7.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.63 -49.42 75.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.408 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -50.4 -30.2 11.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -77.25 -56.61 4.41 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.914 0.387 . . . . 0.0 110.327 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -59.2 -17.56 28.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.301 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -30.26 68.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.212 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mm -97.98 -31.53 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.413 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 120.824 0.345 . . . . 0.0 111.032 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.62 174.32 5.16 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.314 0.578 . . . . 0.0 111.26 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt 63.13 -65.75 0.1 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.417 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.52 -50.37 62.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 110.39 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 4.8 ptm180 -70.22 -39.34 75.17 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.056 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -64.2 -37.88 89.06 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.846 0.355 . . . . 0.0 111.206 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -44.18 60.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.782 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.0 pp -69.86 -24.71 63.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -84.68 -27.41 27.09 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.556 ' CE ' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.64 -32.81 66.16 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.61 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -75.11 160.05 30.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.96 -60.59 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.327 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -54.28 -49.19 70.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.978 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -48.9 -33.85 11.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.408 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 32.2 tp -98.03 -45.5 6.23 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.612 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.87 -38.72 23.31 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.673 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -80.89 -37.75 29.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -72.97 -37.91 66.88 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 179.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.78 76.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -56.45 -27.64 57.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.033 178.028 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -95.17 -49.15 5.63 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.27 -44.79 65.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.031 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -58.48 -26.12 63.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 51.8 mttm -83.04 -47.3 11.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.605 0.241 . . . . 0.0 111.424 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD13 ' HD3' ' A' ' 33' ' ' LYS . 19.6 mt -43.93 -29.06 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.879 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.27 -33.07 72.67 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.126 0.488 . . . . 0.0 110.127 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mt -95.52 -33.38 4.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.953 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.089 0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.1 163.54 16.1 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 mt 66.5 -65.3 0.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.076 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.56 -55.89 2.21 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 2.4 ptp180 -61.75 -42.51 99.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.434 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -38.93 86.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 109.98 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.43 -47.51 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.236 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 16' ' ' ARG . 1.6 pp -67.94 -25.34 65.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.512 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.56 -27.0 29.6 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -70.03 -37.53 75.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -61.15 152.28 28.98 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.134 177.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.5 -59.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.324 -0.15 . . . . 0.0 111.107 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -57.08 -66.97 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 179.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -42.71 -44.07 4.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.765 0.317 . . . . 0.0 110.705 179.043 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.16 -56.98 6.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.36 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.692 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 37.9 mm-40 -76.12 -46.16 30.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.595 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 24.8 tp10 -73.0 -38.27 66.67 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.504 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.98 96.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -25.6 60.55 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.959 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.51 -51.09 5.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.891 178.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 5.1 t30 -52.12 -43.58 64.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.996 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -56.31 -28.64 59.52 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -79.78 -55.92 4.65 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.641 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -45.8 -26.75 0.71 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.601 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -36.98 75.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 109.594 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -86.25 -35.12 8.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.5 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 179.769 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 2.7 p80 -104.6 -179.86 4.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.427 0.632 . . . . 0.0 111.632 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 23.0 mt 72.77 -60.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.945 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 1.3 pt? -48.59 -43.03 35.61 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 6.0 ptm180 -76.67 -40.73 48.04 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.447 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 mp0 -62.26 -37.8 86.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -45.77 73.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.915 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.6 pp -68.11 -26.67 65.92 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.064 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.1 mt-10 -80.28 -27.6 38.53 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.126 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 -40.17 57.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.287 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.6 tpp85 -63.61 154.49 32.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.49 -61.39 0.36 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -54.79 -49.94 69.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.502 178.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.5 pp0? -48.08 -35.42 11.28 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.531 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 31' ' ' ALA . 44.3 tp -97.07 -44.39 7.0 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.935 -0.12 . . . . 0.0 110.878 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.08 16.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.697 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -82.99 -39.16 21.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.435 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp10 -71.12 -28.01 64.0 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.17 -39.05 88.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -61.56 -25.86 67.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.543 178.025 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 ptmm? -96.73 -46.74 6.16 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.65 -45.76 77.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 6.0 mmp_? -56.38 -26.92 54.62 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.148 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -78.92 -57.36 3.79 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.59 0.233 . . . . 0.0 110.858 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.04 -23.56 3.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.369 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.01 -26.71 60.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.483 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mt -102.2 -27.74 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.613 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.3 p80 -68.84 177.73 2.45 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.433 0.635 . . . . 0.0 111.611 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 36.9 mt 71.43 -62.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.674 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -48.41 77.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.149 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.94 -38.02 85.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.763 178.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -67.25 -34.86 78.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -44.14 55.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.2 pp -67.2 -27.64 67.43 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.153 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.0 mm-40 -81.91 -27.21 33.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.713 177.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.9 73.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.102 177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.6 tpp85 -73.13 160.34 32.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.23 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.35 -60.7 0.25 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.454 0.168 . . . . 0.0 111.024 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.0 tt0 -54.97 -50.75 68.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.467 0.307 . . . . 0.0 110.886 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -54.03 -28.55 39.08 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.694 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.425 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 17.1 tp -97.99 -46.11 6.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 117.087 -0.051 . . . . 0.0 111.071 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.85 54.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.141 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -81.71 -35.53 29.67 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.892 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.3 tt0 -74.97 -36.35 62.05 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.496 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' ARG . . . -54.26 -43.59 71.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 1.3 t60 -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.723 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.892 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.06 -43.6 6.29 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.924 179.511 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.61 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.5 -38.28 90.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 13.2 mmm-85 -60.98 -27.72 68.49 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 22.9 mmtm -77.15 -52.46 9.23 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.436 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.21 -21.36 1.31 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.288 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.18 -32.8 73.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.034 0.445 . . . . 0.0 110.069 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mt -90.7 -34.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--O 1.232 0.161 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 169.84 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.656 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 mt -149.08 -73.32 0.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.46 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -54.87 14.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.619 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 14.5 ptm180 -64.32 -33.27 75.44 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.303 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.36 -40.85 98.39 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -42.09 81.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.619 ' CD1' ' HA ' ' A' ' 16' ' ' ARG . 10.5 mt -58.66 -34.9 71.76 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.295 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -27.6 55.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.909 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.22 70.28 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' GLU . 8.7 tpp180 -67.79 160.95 27.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.774 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.44 -61.83 0.34 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.581 0.229 . . . . 0.0 110.763 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.6 tt0 -55.16 -49.51 71.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.4 pp0? -57.86 -15.73 9.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.37 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 12.9 tp -114.45 -46.05 2.99 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 117.472 0.124 . . . . 0.0 111.212 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -38.31 46.18 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -81.52 -36.57 29.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.881 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 5.6 tm-20 -71.22 -36.79 71.98 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.12 78.23 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.166 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -70.32 -22.02 62.86 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.881 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.36 -37.77 8.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.606 0.241 . . . . 0.0 110.517 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -61.6 -47.83 83.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -53.34 -30.32 38.74 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mmtm -73.24 -53.46 10.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.59 -24.56 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . 0.454 ' O ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.73 -28.89 50.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 110.03 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mt -102.29 -27.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.158 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 38' ' ' NLE . 20.8 mm . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.926 0.869 . . . . 0.0 112.004 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.4 p-80 -65.69 177.99 1.12 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 111.756 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 43.2 mt 67.92 -69.16 0.15 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -47.38 77.98 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -64.13 -40.24 95.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.171 178.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.646 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -62.6 -37.89 88.01 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.16 -47.9 76.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.458 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.2 pp -70.21 -22.82 62.89 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.311 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.7 mt-10 -79.48 -31.2 42.33 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.52 58.29 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.15 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -89.77 150.12 22.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.043 179.063 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.13 -56.9 0.23 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -56.8 -64.34 0.91 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 122.979 0.174 . . . . 0.0 111.253 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.41 -57.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 122.94 0.15 . . . . 0.0 111.326 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.2 -49.65 66.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.81 56.75 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.231 -0.587 . . . . 0.0 109.882 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -77.52 -42.97 33.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.99 -35.88 77.21 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.79 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.33 62.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -58.53 -27.64 64.72 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.385 177.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.9 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -98.55 -46.01 5.89 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.75 -44.89 70.36 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.921 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.88 -27.32 63.17 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.198 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -80.45 -46.58 15.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.368 . . . . 0.0 111.439 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt -46.26 -27.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.698 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -29.73 66.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 0.0 110.432 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' ILE . 27.2 mt -99.93 -30.71 3.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.34 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 40' ' ' ILE . 1.7 tt . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 122.675 0.39 . . . . 0.0 111.753 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 146.8 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.615 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.88 -58.62 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.353 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -57.43 5.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -56.36 -46.59 79.95 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -43.43 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 110.352 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -43.01 69.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.068 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 1.9 mt -62.43 -33.65 75.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.29 -26.54 47.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.803 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.453 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 3.6 tpp85 -66.57 157.39 32.45 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.297 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.21 -60.87 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.767 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -53.31 -50.21 65.42 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -53.8 -22.78 10.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.841 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.2 tp -106.25 -45.78 4.22 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.457 -0.152 . . . . 0.0 110.867 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -37.71 34.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.71 0.29 . . . . 0.0 110.651 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -82.55 -39.58 22.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 109.979 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.886 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -67.8 -36.73 80.94 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.124 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -57.18 -41.64 79.69 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -60.17 -26.55 66.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.897 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.886 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.47 -53.63 4.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.38 -46.87 47.82 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.871 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -54.58 -28.58 47.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -80.97 -50.29 9.9 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.329 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 83.9 mt -58.72 -19.61 41.58 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.959 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -27.56 63.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.986 0.422 . . . . 0.0 110.427 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.98 -28.57 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.807 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 38' ' ' NLE . 9.7 tt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.806 0.336 . . . . 0.0 111.624 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -68.22 171.7 6.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.311 0.577 . . . . 0.0 111.422 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 8.3 mt 68.57 -61.95 0.39 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.385 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -47.22 47.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 111.216 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 2.6 ptp180 -60.07 -40.51 89.77 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -37.72 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.137 0.494 . . . . 0.0 109.971 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.21 -47.44 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.6 pp -67.09 -25.3 66.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.0 mm-40 -84.56 -27.78 27.06 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.405 ' CE ' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -28.8 61.12 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.417 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.79 155.37 38.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.542 178.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.69 -58.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -52.55 -52.14 56.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.175 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -53.39 -24.49 12.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ALA . 20.9 tp -100.14 -48.66 4.55 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -36.92 39.87 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.8 0.333 . . . . 0.0 110.611 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -82.14 -40.25 22.09 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.043 0.449 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.891 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 tt0 -71.78 -32.75 67.97 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.655 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.14 -34.18 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.596 -0.69 . . . . 0.0 110.391 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.33 -22.42 61.92 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.516 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.891 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -99.59 -41.57 7.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.815 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 38' ' ' NLE . 0.1 OUTLIER -60.56 -44.27 96.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.92 -31.62 50.85 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.49 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -72.73 -55.42 6.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.32 -23.47 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.922 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' NLE . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -37.8 67.57 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -87.25 -34.91 7.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.237 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.756 179.566 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.55 -45.13 56.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 3.1 ptp180 -59.73 -40.97 89.8 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -37.93 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.24 -47.87 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.02 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.5 pp -67.85 -25.66 65.65 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.663 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mm-40 . . . . . 0 N--CA 1.445 -0.691 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -79.33 159.08 27.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.355 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.61 -59.05 0.23 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.67 -56.31 21.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.275 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -32.56 18.01 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.473 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -90.63 -49.0 6.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.923 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.66 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 109.947 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -80.76 -41.75 22.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.44 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.922 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.3 tt0 -69.65 -33.44 72.61 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.249 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.85 91.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -26.41 67.99 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.175 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.922 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -93.7 -44.03 8.36 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -58.6 -43.36 89.51 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -31.46 48.51 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.381 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -76.95 -54.66 6.28 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.541 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.749 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.3 mt . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.698 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.4 mp -84.74 -36.68 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.694 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.72 -48.04 15.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.693 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -68.7 -40.47 80.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.195 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.25 -36.09 76.79 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.905 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.33 -47.51 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.649 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.693 HD23 ' HA ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -60.92 -31.85 71.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.441 -0.503 . . . . 0.0 109.958 178.597 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.447 -0.6 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.018 178.113 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -64.3 159.66 20.5 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.099 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.56 -60.95 0.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.485 0.183 . . . . 0.0 110.731 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -56.76 -58.02 9.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.162 179.046 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -46.58 -35.58 6.0 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.528 179.601 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -89.55 -49.97 6.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.22 48.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.512 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.86 -42.04 25.05 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.897 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -71.84 -37.98 70.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.483 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.47 95.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -29.59 49.42 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.897 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -90.57 -53.14 4.55 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.37 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 29.6 t30 -53.2 -43.54 67.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -29.72 60.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.778 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -81.28 -47.14 13.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HD3' ' A' ' 33' ' ' LYS . 20.7 mt . . . . . 0 CA--C 1.533 0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.87 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.61 -28.48 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.007 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 41' ' ' ILE . 41.5 mt . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 122.047 0.927 . . . . 0.0 111.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.42 0.152 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.62 -49.3 73.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.945 0.403 . . . . 0.0 110.214 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.5 mp0 -66.51 -35.95 81.52 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -43.57 56.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.093 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.4 pp -66.99 -26.28 66.73 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.659 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.6 tpp85 -86.11 158.29 19.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.916 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.66 -59.06 0.3 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.261 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.4 tt0 -53.67 -48.42 69.48 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.58 0.352 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.96 -19.05 62.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.558 0.218 . . . . 0.0 111.5 179.52 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.8 tp -99.12 -51.91 3.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.75 60.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 0.0 110.626 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -77.39 -41.46 39.98 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.076 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 19.4 tp10 -76.44 -35.99 58.21 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.042 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.3 84.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.52 -26.3 61.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.037 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.9 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.11 -50.18 5.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.815 179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -53.79 -45.58 70.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.666 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.25 -27.97 64.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.35 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 38.5 mttm -73.78 -54.32 8.29 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 109.823 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.588 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mt -81.89 -36.52 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.048 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.643 179.452 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -43.46 -52.21 6.19 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.457 0.303 . . . . 0.0 111.556 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 4.9 ptm180 -57.79 -46.24 84.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.158 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.89 -47.53 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.0 pp -69.77 -22.71 63.32 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.884 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.5 mt-10 . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -89.1 151.65 22.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.292 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.19 -57.07 0.29 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.7 mt-10 -55.58 -40.13 71.61 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -61.55 -23.79 66.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . 34.4 tp -108.85 -43.58 4.2 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.896 -0.138 . . . . 0.0 110.843 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.9 -38.87 23.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.517 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -82.64 -35.77 26.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.89 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -73.83 -35.22 64.81 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.859 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -54.92 -40.09 69.51 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -61.53 -24.9 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.128 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.89 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.08 -52.03 4.58 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.47 -49.15 62.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -50.78 -31.64 17.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.988 178.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 37.3 mttm -76.81 -53.78 7.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.347 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 40' ' ' ILE . 30.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 37' ' ' LEU . 3.0 mt -94.43 -28.1 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.619 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.217 0.532 . . . . 0.0 111.624 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.08 -51.78 9.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.687 0.28 . . . . 0.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.93 -45.97 78.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 179.521 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.41 -41.28 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.043 0.449 . . . . 0.0 110.197 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.22 -45.24 76.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.065 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 16' ' ' ARG . 8.0 mt -60.37 -33.01 71.84 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.813 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -86.34 161.71 18.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.85 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.91 -58.95 0.25 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -58.14 -72.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.026 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -45.98 2.01 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.28 -57.99 6.32 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.279 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.416 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 38.3 mm-40 -72.39 -47.33 50.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.027 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.9 tp10 -72.66 -40.88 65.98 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -59.49 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -56.66 -26.26 55.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.859 177.469 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.908 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.61 -51.46 5.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.888 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB2' ' OE1' ' A' ' 30' ' ' GLU . 6.8 t-20 -49.33 -50.46 39.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.004 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 7.2 mmp_? -55.17 -24.45 26.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.678 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' HIS . 3.6 mtpt -82.67 -52.63 6.61 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-O 120.808 0.337 . . . . 0.0 111.049 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.464 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.623 179.823 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 121.144 0.497 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.6 mt -90.52 -32.97 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.127 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.958 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 mt -48.03 -49.93 29.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.571 0.224 . . . . 0.0 110.973 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -58.26 -40.18 81.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.75 0.31 . . . . 0.0 111.061 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.98 -32.17 66.99 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.059 0.456 . . . . 0.0 110.264 178.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.95 45.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.846 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.545 HD13 ' NH1' ' A' ' 23' ' ' ARG . 3.7 pp -68.48 -27.57 66.26 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.113 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.826 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.918 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' NH1' HD13 ' A' ' 19' ' ' LEU . 5.5 ttm180 -65.33 157.09 30.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.36 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.62 -60.52 0.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.718 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -53.59 -46.82 70.49 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.177 179.081 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.36 -11.92 5.02 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' ALA . 14.1 tp -117.53 -49.76 2.55 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.41 -0.181 . . . . 0.0 110.789 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.63 47.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.663 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -88.37 -31.28 18.96 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.317 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.894 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tp10 -77.59 -30.17 52.35 Favored 'General case' 0 CA--C 1.527 0.07 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.816 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.01 -38.01 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.164 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -66.17 -23.57 66.49 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.678 178.353 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.894 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.7 ptmm? -95.01 -46.97 6.6 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -54.39 -48.59 71.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.309 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -31.65 14.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.073 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 22.4 mttt -77.53 -54.47 6.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.777 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.235 0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.643 178.755 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.232 0.166 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.1 mt -81.16 -34.05 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.439 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.461 0.09 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.75 179.442 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.24 -49.88 22.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.659 0.266 . . . . 0.0 111.22 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 12.9 ptm180 -60.29 -35.72 76.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.3 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -34.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 0.0 109.709 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.41 -46.73 75.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.905 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.6 pp -66.55 -25.75 66.8 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.595 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.019 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -83.22 160.25 21.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.637 179.183 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.94 -59.78 0.31 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.537 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.3 tm-20 -54.72 -63.64 1.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.012 0.195 . . . . 0.0 110.989 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -40.18 -54.73 2.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ALA . 39.8 tp -69.24 -49.88 52.23 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.783 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.64 50.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.105 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -81.66 -41.98 20.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.405 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.893 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -70.27 -31.07 68.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.74 -36.01 77.82 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.949 -0.469 . . . . 0.0 109.926 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -23.95 66.11 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.381 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.893 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.5 ptmm? -94.45 -48.81 5.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -41.98 71.37 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -26.46 60.98 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -85.25 -52.82 5.64 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.03 0.443 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mm -87.38 -34.69 7.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.964 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.849 0.357 . . . . 0.0 111.213 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mp -46.81 -52.18 14.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.228 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.96 97.81 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.715 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.55 -42.74 71.29 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.207 0.527 . . . . 0.0 109.91 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.51 -45.71 81.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.15 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 9.3 mt -59.32 -33.97 71.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.924 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.907 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.27 163.23 15.76 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.003 178.42 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.16 -61.56 0.28 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -54.69 -59.94 4.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.754 178.789 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -44.64 -41.78 6.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.33 -51.24 9.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.7 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.941 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 11.2 pt20 -84.26 -39.57 19.09 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 110.776 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.904 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 2.2 tp10 -75.95 -33.92 59.82 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.354 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.86 75.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.966 0.348 . . . . 0.0 110.09 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -60.63 -26.52 67.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.754 177.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.904 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -91.09 -52.59 4.76 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.677 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -40.8 64.86 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.872 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.87 -30.74 66.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.438 0.161 . . . . 0.0 110.783 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 20.3 mmtp -76.34 -52.16 10.48 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.424 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' A' ' 33' ' ' LYS . 31.5 mt . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.48 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -88.89 -35.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.993 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.53 -52.93 26.35 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.754 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.05 -37.46 74.43 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.063 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -41.95 87.89 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.169 0.509 . . . . 0.0 109.856 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -44.16 77.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.628 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.82 -34.24 72.81 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.184 178.587 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -71.43 160.77 32.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.08 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 27' ' ' LEU . . . 66.83 -59.22 0.38 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.8 tt0 -55.89 -56.41 21.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.077 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -31.62 15.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.612 0.244 . . . . 0.0 111.602 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -90.68 -50.31 5.98 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.146 -0.221 . . . . 0.0 110.879 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.48 -37.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.801 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -73.62 -43.78 58.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 18.6 tp10 -78.03 -35.36 49.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.077 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.684 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -57.21 -47.29 81.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -52.1 -28.32 17.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.325 177.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.5 -45.71 7.64 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.405 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -50.93 -50.81 56.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.395 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 5.7 mmm180 -58.75 -24.15 61.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.305 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 33.5 mmtm -74.56 -54.62 7.13 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.053 0.454 . . . . 0.0 110.133 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.242 178.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.211 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mt -90.08 -36.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.657 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.46 0.171 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -46.82 -49.76 19.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.688 0.28 . . . . 0.0 111.428 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.61 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -42.78 99.04 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.404 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -66.92 -35.91 81.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.401 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -44.07 48.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.665 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.4 pp -69.27 -25.66 64.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.3 mt-10 . . . . . 0 N--CA 1.445 -0.718 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.973 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -79.21 150.48 31.61 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.95 -59.1 0.25 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.4 mt-10 -51.95 -62.24 1.76 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.148 0.28 . . . . 0.0 111.241 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -41.68 -55.94 2.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.943 0.152 . . . . 0.0 111.218 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 tp -68.31 -48.28 65.33 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.83 -39.31 52.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.746 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.97 -42.73 23.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.006 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.001 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 8.0 tm-20 -63.78 -35.92 82.18 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -64.03 -32.17 73.62 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.935 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -20.82 60.26 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.44 177.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.001 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.84 -39.14 7.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.704 0.288 . . . . 0.0 110.288 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 6.1 t-20 -59.77 -48.78 80.29 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -54.45 -27.63 38.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.237 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -77.08 -56.6 4.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.598 0.237 . . . . 0.0 111.183 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.394 179.472 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.986 0.422 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.46 -26.59 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.111 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 41' ' ' ILE . 19.8 mm . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.988 0.899 . . . . 0.0 111.716 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 111.346 0.128 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.26 -53.57 27.43 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.253 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.783 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.4 ptm180 -62.23 -38.49 89.42 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -43.18 77.18 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.0 -45.55 80.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.833 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 16' ' ' ARG . 6.9 mt -60.28 -32.94 71.66 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -0.995 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' HB2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -67.47 153.89 42.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.066 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.47 -60.38 0.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.441 0.163 . . . . 0.0 110.764 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -53.27 -52.07 60.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.952 178.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -47.22 -34.04 6.04 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.887 179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 43.7 tp -100.19 -43.14 6.41 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.529 -0.107 . . . . 0.0 111.041 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.61 22.12 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.657 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -83.01 -39.73 20.89 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.293 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.3 tp10 -69.54 -30.85 68.77 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.374 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -58.59 -33.98 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.993 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 1.3 t-80 -69.38 -21.38 63.79 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.862 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.4 ptmm? -100.8 -45.76 5.36 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -42.94 80.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 12.9 mmp_? -61.23 -26.51 67.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.246 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -73.86 -55.17 6.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.675 0.274 . . . . 0.0 110.562 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.968 178.082 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.461 0.124 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -89.24 -35.5 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.488 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.231 0.539 . . . . 0.0 110.935 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 15' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 14' ' ' LEU . 1.2 tt 68.27 -65.86 0.25 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.64 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 ptp180 -63.71 -37.56 87.82 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -36.23 80.53 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.135 0.493 . . . . 0.0 110.234 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.24 -47.07 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.54 -25.43 66.66 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.644 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.8 tpp85 -76.48 164.02 26.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.027 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.19 -61.17 0.29 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.935 -0.121 . . . . 0.0 110.873 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -54.95 -51.99 64.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.839 178.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.69 11.79 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.598 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ALA . 27.9 tp -96.73 -48.21 5.57 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.66 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -36.46 33.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.73 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -82.93 -39.85 20.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.948 0.404 . . . . 0.0 110.512 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tt0 -73.41 -31.08 63.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.812 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -62.53 -34.67 77.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.583 -0.698 . . . . 0.0 110.246 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -22.36 62.69 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.71 -41.98 7.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.63 -49.42 75.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.408 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -50.4 -30.2 11.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -77.25 -56.61 4.41 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.914 0.387 . . . . 0.0 110.327 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD12 ' HD3' ' A' ' 33' ' ' LYS . 2.6 mt . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.301 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mm -97.98 -31.53 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.413 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 120.824 0.345 . . . . 0.0 111.032 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.52 -50.37 62.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 110.39 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 4.8 ptm180 -70.22 -39.34 75.17 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.056 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -64.2 -37.88 89.06 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.846 0.355 . . . . 0.0 111.206 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -44.18 60.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.782 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.0 pp -69.86 -24.71 63.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -75.11 160.05 30.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.96 -60.59 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.327 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -54.28 -49.19 70.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.978 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -33.85 11.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.408 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.2 tp -98.03 -45.5 6.23 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.612 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.87 -38.72 23.31 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.673 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -80.89 -37.75 29.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -72.97 -37.91 66.88 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 179.488 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.78 76.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -27.64 57.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.033 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -95.17 -49.15 5.63 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -52.27 -44.79 65.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.031 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -58.48 -26.12 63.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 51.8 mttm -83.04 -47.3 11.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.605 0.241 . . . . 0.0 111.424 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HD3' ' A' ' 33' ' ' LYS . 19.6 mt . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.879 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 121.126 0.488 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mt -95.52 -33.38 4.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.953 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.089 0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.56 -55.89 2.21 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.4 ptp180 -61.75 -42.51 99.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.434 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -38.93 86.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 109.98 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.43 -47.51 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.236 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 16' ' ' ARG . 1.6 pp -67.94 -25.34 65.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.512 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -61.15 152.28 28.98 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.134 177.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.5 -59.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.324 -0.15 . . . . 0.0 111.107 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -57.08 -66.97 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 179.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -42.71 -44.07 4.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.765 0.317 . . . . 0.0 110.705 179.043 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.16 -56.98 6.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.36 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.692 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 37.9 mm-40 -76.12 -46.16 30.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.595 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.186 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 24.8 tp10 -73.0 -38.27 66.67 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.504 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.98 96.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.7 -25.6 60.55 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.959 177.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.186 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.51 -51.09 5.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.891 178.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 5.1 t30 -52.12 -43.58 64.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.996 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -56.31 -28.64 59.52 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 11.4 mmtm -79.78 -55.92 4.65 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.641 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD12 ' HE2' ' A' ' 33' ' ' LYS . 48.2 mt . . . . . 0 N--CA 1.467 0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.601 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -86.25 -35.12 8.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.5 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 179.769 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 1.3 pt? -48.59 -43.03 35.61 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 6.0 ptm180 -76.67 -40.73 48.04 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.447 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 mp0 -62.26 -37.8 86.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -45.77 73.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.915 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.6 pp -68.11 -26.67 65.92 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.064 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 19' ' ' LEU . 3.1 mt-10 . . . . . 0 N--CA 1.441 -0.877 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.126 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.6 tpp85 -63.61 154.49 32.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.49 -61.39 0.36 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -54.79 -49.94 69.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.502 178.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -48.08 -35.42 11.28 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.531 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 31' ' ' ALA . 44.3 tp -97.07 -44.39 7.0 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.935 -0.12 . . . . 0.0 110.878 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.08 16.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.697 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -82.99 -39.16 21.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.435 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp10 -71.12 -28.01 64.0 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.17 -39.05 88.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -61.56 -25.86 67.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.543 178.025 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 ptmm? -96.73 -46.74 6.16 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.65 -45.76 77.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 6.0 mmp_? -56.38 -26.92 54.62 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.148 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HE3' ' CE1' ' A' ' 32' ' ' HIS . 20.3 mttm -78.92 -57.36 3.79 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.59 0.233 . . . . 0.0 110.858 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.466 0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.369 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mt -102.2 -27.74 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.613 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.441 0.162 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -48.41 77.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.149 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.94 -38.02 85.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.763 178.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -67.25 -34.86 78.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -44.14 55.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.2 pp -67.2 -27.64 67.43 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.153 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.0 mm-40 . . . . . 0 N--CA 1.445 -0.7 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.713 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.6 tpp85 -73.13 160.34 32.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.23 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.35 -60.7 0.25 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.454 0.168 . . . . 0.0 111.024 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.0 tt0 -54.97 -50.75 68.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.467 0.307 . . . . 0.0 110.886 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -28.55 39.08 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.694 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.99 -46.11 6.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 117.087 -0.051 . . . . 0.0 111.071 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.85 54.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.141 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -81.71 -35.53 29.67 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.047 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 7.3 tt0 -74.97 -36.35 62.05 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.496 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' ARG . . . -54.26 -43.59 71.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.723 177.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.047 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.06 -43.6 6.29 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.924 179.511 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.611 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.5 -38.28 90.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 13.2 mmm-85 -60.98 -27.72 68.49 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 22.9 mmtm -77.15 -52.46 9.23 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.436 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.0 mt . . . . . 0 CA--C 1.535 0.366 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.288 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 121.034 0.445 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.8 mt -90.7 -34.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 37' ' ' LEU . 5.9 tt . . . . . 0 C--O 1.232 0.161 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.16 -54.87 14.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 1.069 ' HA ' HD12 ' A' ' 19' ' ' LEU . 14.5 ptm180 -64.32 -33.27 75.44 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.303 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.36 -40.85 98.39 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -42.09 81.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.069 HD12 ' HA ' ' A' ' 16' ' ' ARG . 10.5 mt -58.66 -34.9 71.76 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.295 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.909 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLU . 8.7 tpp180 -67.79 160.95 27.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.774 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.44 -61.83 0.34 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.581 0.229 . . . . 0.0 110.763 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.6 tt0 -55.16 -49.51 71.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -57.86 -15.73 9.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.37 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -114.45 -46.05 2.99 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 117.472 0.124 . . . . 0.0 111.212 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -38.31 46.18 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -81.52 -36.57 29.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.072 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 5.6 tm-20 -71.22 -36.79 71.98 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.12 78.23 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.166 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -22.02 62.86 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.072 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.36 -37.77 8.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.606 0.241 . . . . 0.0 110.517 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.6 -47.83 83.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -53.34 -30.32 38.74 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mmtm -73.24 -53.46 10.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mt -102.29 -27.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.158 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.615 ' O ' HG22 ' A' ' 41' ' ' ILE . 20.8 mm . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.926 0.869 . . . . 0.0 112.004 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.2 mt . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.383 0.135 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -47.38 77.98 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.65 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -64.13 -40.24 95.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.171 178.621 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.65 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -62.6 -37.89 88.01 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 t -68.16 -47.9 76.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.458 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.2 pp -70.21 -22.82 62.89 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.311 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.7 mt-10 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -89.77 150.12 22.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.043 179.063 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.13 -56.9 0.23 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -56.8 -64.34 0.91 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 122.979 0.174 . . . . 0.0 111.253 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -40.41 -57.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 122.94 0.15 . . . . 0.0 111.326 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.2 -49.65 66.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.81 56.75 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.231 -0.587 . . . . 0.0 109.882 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -77.52 -42.97 33.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.99 -35.88 77.21 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.79 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.33 62.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -27.64 64.72 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.385 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.9 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -98.55 -46.01 5.89 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.477 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -53.75 -44.89 70.36 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.921 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.88 -27.32 63.17 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.198 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -80.45 -46.58 15.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.368 . . . . 0.0 111.439 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.698 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.2 mt -99.93 -30.71 3.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.34 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 122.675 0.39 . . . . 0.0 111.753 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -48.13 -57.43 5.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -46.59 79.95 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -43.43 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 110.352 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -43.01 69.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.068 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.9 mt -62.43 -33.65 75.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.803 178.426 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 3.6 tpp85 -66.57 157.39 32.45 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.297 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.21 -60.87 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.767 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -53.31 -50.21 65.42 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -53.8 -22.78 10.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.841 179.411 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . 19.2 tp -106.25 -45.78 4.22 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.457 -0.152 . . . . 0.0 110.867 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -37.71 34.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.71 0.29 . . . . 0.0 110.651 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -82.55 -39.58 22.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 109.979 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 1.2 tp10 -67.8 -36.73 80.94 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.124 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -57.18 -41.64 79.69 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -26.55 66.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.897 177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.908 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.47 -53.63 4.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.38 -46.87 47.82 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.871 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -54.58 -28.58 47.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -80.97 -50.29 9.9 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.329 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 33' ' ' LYS . 83.9 mt . . . . . 0 CA--C 1.533 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.959 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 120.986 0.422 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.98 -28.57 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.807 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.806 0.336 . . . . 0.0 111.624 -179.668 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 111.385 0.143 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -47.22 47.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 111.216 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 2.6 ptp180 -60.07 -40.51 89.77 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.36 -37.72 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.137 0.494 . . . . 0.0 109.971 178.561 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.21 -47.44 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.6 pp -67.09 -25.3 66.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.0 mm-40 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.79 155.37 38.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.542 178.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.69 -58.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -52.55 -52.14 56.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.175 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -24.49 12.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 tp -100.14 -48.66 4.55 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -36.92 39.87 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.8 0.333 . . . . 0.0 110.611 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -82.14 -40.25 22.09 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.043 0.449 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 1.156 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.1 tt0 -71.78 -32.75 67.97 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.655 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.18 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.596 -0.69 . . . . 0.0 110.391 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -71.33 -22.42 61.92 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.516 178.096 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.156 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -99.59 -41.57 7.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.815 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -60.56 -44.27 96.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.92 -31.62 50.85 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.49 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 20.4 mmtm -72.73 -55.42 6.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.922 177.8 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -87.25 -34.91 7.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.237 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.756 179.566 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -73.43 173.35 9.73 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.266 0.555 . . . . 0.0 110.967 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 7.2 mt 67.96 -62.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.55 -45.13 56.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 3.1 ptp180 -59.73 -40.97 89.8 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -37.93 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.24 -47.87 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.02 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.5 pp -67.85 -25.66 65.65 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.663 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mm-40 -82.58 -27.39 31.56 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.751 ' HA ' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.96 58.32 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.007 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -79.33 159.08 27.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.355 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.61 -59.05 0.23 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.67 -56.31 21.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.275 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -32.56 18.01 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.473 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -90.63 -49.0 6.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.923 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.66 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 109.947 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -80.76 -41.75 22.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.44 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.922 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.3 tt0 -69.65 -33.44 72.61 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.249 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.85 91.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -26.41 67.99 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.175 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.922 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -93.7 -44.03 8.36 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -58.6 -43.36 89.51 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -31.46 48.51 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.381 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -76.95 -54.66 6.28 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.541 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.749 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.3 mt -57.66 -21.11 38.01 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.698 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -35.6 73.93 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.4 mp -84.74 -36.68 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.694 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 1.3 m80 -116.23 166.35 12.13 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.23 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -116.66 -89.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.72 -48.04 15.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.693 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -68.7 -40.47 80.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.195 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.25 -36.09 76.79 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.905 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.33 -47.51 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.649 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.693 HD23 ' HA ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -60.92 -31.85 71.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.441 -0.503 . . . . 0.0 109.958 178.597 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.81 -28.46 50.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.018 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -73.67 -38.63 64.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.095 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -64.3 159.66 20.5 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.099 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.56 -60.95 0.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.485 0.183 . . . . 0.0 110.731 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -56.76 -58.02 9.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.162 179.046 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -46.58 -35.58 6.0 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.528 179.601 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -89.55 -49.97 6.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.22 48.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.512 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.86 -42.04 25.05 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.897 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -71.84 -37.98 70.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.483 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.47 95.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -29.59 49.42 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.897 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -90.57 -53.14 4.55 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 29.6 t30 -53.2 -43.54 67.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -29.72 60.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.778 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -81.28 -47.14 13.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HD3' ' A' ' 33' ' ' LYS . 20.7 mt -48.5 -26.8 2.33 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.87 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.24 -23.7 54.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.61 -28.48 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.007 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 41' ' ' ILE . 41.5 mt . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 122.047 0.927 . . . . 0.0 111.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.6 p80 -68.1 178.39 1.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.5 0.666 . . . . 0.0 111.628 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 27.5 mt 70.41 -62.99 0.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.784 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.62 -49.3 73.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.945 0.403 . . . . 0.0 110.214 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.5 mp0 -66.51 -35.95 81.52 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -43.57 56.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.093 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.4 pp -66.99 -26.28 66.73 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.659 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.04 -24.9 27.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.02 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.6 tpp85 -86.11 158.29 19.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.916 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.66 -59.06 0.3 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.261 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.4 tt0 -53.67 -48.42 69.48 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.58 0.352 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.96 -19.05 62.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.558 0.218 . . . . 0.0 111.5 179.52 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.8 tp -99.12 -51.91 3.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.75 60.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 0.0 110.626 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -77.39 -41.46 39.98 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.076 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 19.4 tp10 -76.44 -35.99 58.21 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.042 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.3 84.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.52 -26.3 61.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.037 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.9 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.11 -50.18 5.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.815 179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -53.79 -45.58 70.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.666 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.25 -27.97 64.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.35 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 38.5 mttm -73.78 -54.32 8.29 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 109.823 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt -68.34 -13.76 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.588 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.33 -34.97 75.44 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mt -81.89 -36.52 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.048 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.643 179.452 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' DPN . . . . . 0.511 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.87 170.75 9.06 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.14 0.495 . . . . 0.0 110.993 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 17.7 mt 67.82 -59.09 0.43 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.538 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 12' ' ' DPN . 3.9 mp -43.46 -52.21 6.19 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.457 0.303 . . . . 0.0 111.556 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 4.9 ptm180 -57.79 -46.24 84.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.158 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.89 -47.53 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.0 pp -69.77 -22.71 63.32 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.884 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.5 mt-10 -82.74 -28.22 30.56 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.429 ' O ' ' HB2' ' A' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.89 -19.93 53.85 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.224 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -89.1 151.65 22.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.292 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.19 -57.07 0.29 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.7 mt-10 -55.58 -40.13 71.61 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -61.55 -23.79 66.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . 34.4 tp -108.85 -43.58 4.2 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.896 -0.138 . . . . 0.0 110.843 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.9 -38.87 23.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.517 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -82.64 -35.77 26.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.89 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -73.83 -35.22 64.81 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.859 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -54.92 -40.09 69.51 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -61.53 -24.9 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.128 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.89 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.08 -52.03 4.58 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.47 -49.15 62.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -50.78 -31.64 17.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.988 178.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 37.3 mttm -76.81 -53.78 7.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.347 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 40' ' ' ILE . 30.3 mt -60.07 -21.77 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.672 ' HA ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.95 -22.49 36.65 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 37' ' ' LEU . 3.0 mt -94.43 -28.1 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.619 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.672 HG22 ' HA ' ' A' ' 38' ' ' NLE . 16.2 tt . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.217 0.532 . . . . 0.0 111.624 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -118.16 177.21 4.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.015 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 18.9 mt 69.82 -57.34 0.55 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.818 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.08 -51.78 9.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.687 0.28 . . . . 0.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.93 -45.97 78.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 179.521 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' O ' ' HE3' ' A' ' 21' ' ' NLE . 4.1 tt0 -55.41 -41.28 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.043 0.449 . . . . 0.0 110.197 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.22 -45.24 76.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.065 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 16' ' ' ARG . 8.0 mt -60.37 -33.01 71.84 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -26.03 36.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.813 178.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.473 ' HE3' ' O ' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -23.42 59.01 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.922 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -86.34 161.71 18.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.85 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.91 -58.95 0.25 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -58.14 -72.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.026 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -45.98 2.01 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.28 -57.99 6.32 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.279 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.416 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 38.3 mm-40 -72.39 -47.33 50.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.027 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.9 tp10 -72.66 -40.88 65.98 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -59.49 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -56.66 -26.26 55.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.859 177.469 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.908 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.61 -51.46 5.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.888 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB2' ' OE1' ' A' ' 30' ' ' GLU . 6.8 t-20 -49.33 -50.46 39.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.004 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 7.2 mmp_? -55.17 -24.45 26.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.678 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' HIS . 3.6 mtpt -82.67 -52.63 6.61 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-O 120.808 0.337 . . . . 0.0 111.049 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.67 -23.17 10.53 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.623 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -34.35 64.92 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.144 0.497 . . . . 0.0 109.811 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.6 mt -90.52 -32.97 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.127 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.958 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -122.14 165.83 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.37 -57.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 mt -48.03 -49.93 29.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.571 0.224 . . . . 0.0 110.973 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -58.26 -40.18 81.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.75 0.31 . . . . 0.0 111.061 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.98 -32.17 66.99 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.059 0.456 . . . . 0.0 110.264 178.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.95 45.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.846 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.545 HD13 ' NH1' ' A' ' 23' ' ' ARG . 3.7 pp -68.48 -27.57 66.26 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.113 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -74.55 -29.88 61.53 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.918 178.259 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.805 ' HE2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.9 -35.0 69.59 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' NH1' HD13 ' A' ' 19' ' ' LEU . 5.5 ttm180 -65.33 157.09 30.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.36 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.62 -60.52 0.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.718 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -53.59 -46.82 70.49 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.177 179.081 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.36 -11.92 5.02 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' ALA . 14.1 tp -117.53 -49.76 2.55 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.41 -0.181 . . . . 0.0 110.789 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.63 47.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.663 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -88.37 -31.28 18.96 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.317 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.894 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tp10 -77.59 -30.17 52.35 Favored 'General case' 0 CA--C 1.527 0.07 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.816 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.01 -38.01 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.164 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -66.17 -23.57 66.49 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.678 178.353 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.894 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.7 ptmm? -95.01 -46.97 6.6 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -54.39 -48.59 71.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.309 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -31.65 14.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.073 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 22.4 mttt -77.53 -54.47 6.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.777 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.22 -23.3 34.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.643 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.52 -36.32 68.29 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.1 mt -81.16 -34.05 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.439 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.461 0.09 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.75 179.442 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' DPN . . . . . 0.401 ' HD2' ' O ' ' A' ' 13' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 29.4 m-70 -65.76 170.65 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 37.2 mt 68.25 -60.28 0.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.701 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.24 -49.88 22.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.659 0.266 . . . . 0.0 111.22 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 12.9 ptm180 -60.29 -35.72 76.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.3 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -34.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 0.0 109.709 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.41 -46.73 75.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.905 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.6 pp -66.55 -25.75 66.8 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.595 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -80.28 -27.51 38.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.893 ' HE2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -76.03 -23.19 55.15 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.4 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -83.22 160.25 21.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.637 179.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.94 -59.78 0.31 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.537 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.3 tm-20 -54.72 -63.64 1.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.012 0.195 . . . . 0.0 110.989 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -40.18 -54.73 2.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ALA . 39.8 tp -69.24 -49.88 52.23 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.783 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.64 50.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.105 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -81.66 -41.98 20.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.405 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.893 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -70.27 -31.07 68.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.74 -36.01 77.82 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.949 -0.469 . . . . 0.0 109.926 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -23.95 66.11 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.381 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.893 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.5 ptmm? -94.45 -48.81 5.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -41.98 71.37 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -26.46 60.98 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -85.25 -52.82 5.64 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -50.37 -24.47 3.04 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.806 ' HA ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -28.6 61.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.03 0.443 . . . . 0.0 110.152 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mm -87.38 -34.69 7.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.964 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 38' ' ' NLE . 13.8 tt . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.849 0.357 . . . . 0.0 111.213 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -123.12 168.21 12.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 13' ' ' HIS . 1.4 mt -146.14 -77.95 0.18 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.36 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mp -46.81 -52.18 14.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.228 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.96 97.81 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.715 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.55 -42.74 71.29 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.207 0.527 . . . . 0.0 109.91 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.51 -45.71 81.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.15 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 9.3 mt -59.32 -33.97 71.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.924 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -27.32 54.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.907 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -75.55 -41.82 53.89 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.319 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.27 163.23 15.76 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.003 178.42 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.16 -61.56 0.28 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -54.69 -59.94 4.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.754 178.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -44.64 -41.78 6.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.33 -51.24 9.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.7 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.941 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 11.2 pt20 -84.26 -39.57 19.09 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 110.776 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.904 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 2.2 tp10 -75.95 -33.92 59.82 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.354 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.86 75.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.966 0.348 . . . . 0.0 110.09 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -60.63 -26.52 67.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.754 177.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.904 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -91.09 -52.59 4.76 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.677 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -40.8 64.86 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.872 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.87 -30.74 66.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.438 0.161 . . . . 0.0 110.783 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 20.3 mmtp -76.34 -52.16 10.48 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.424 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' A' ' 33' ' ' LYS . 31.5 mt -53.59 -24.97 15.42 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.48 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.524 ' HE3' ' O ' ' A' ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -35.92 70.33 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -88.89 -35.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.993 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 160.13 20.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -157.01 -66.05 0.1 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.764 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.53 -52.93 26.35 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.754 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.05 -37.46 74.43 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.063 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -41.95 87.89 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.169 0.509 . . . . 0.0 109.856 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -44.16 77.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.628 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.82 -34.24 72.81 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.84 -26.99 60.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.184 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.13 -34.9 64.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.602 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -71.43 160.77 32.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.08 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 27' ' ' LEU . . . 66.83 -59.22 0.38 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.8 tt0 -55.89 -56.41 21.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.077 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -31.62 15.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.612 0.244 . . . . 0.0 111.602 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -90.68 -50.31 5.98 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.146 -0.221 . . . . 0.0 110.879 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.48 -37.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.801 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -73.62 -43.78 58.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 18.6 tp10 -78.03 -35.36 49.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.077 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.684 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -57.21 -47.29 81.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -52.1 -28.32 17.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.325 177.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.5 -45.71 7.64 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.405 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -50.93 -50.81 56.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.395 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 5.7 mmm180 -58.75 -24.15 61.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.305 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 33.5 mmtm -74.56 -54.62 7.13 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.053 0.454 . . . . 0.0 110.133 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.97 -9.49 52.48 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.242 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -33.69 74.3 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mt -90.08 -36.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.657 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 164.68 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.8 -63.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.46 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -46.82 -49.76 19.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.688 0.28 . . . . 0.0 111.428 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.61 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -42.78 99.04 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.404 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -66.92 -35.91 81.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.401 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -44.07 48.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.665 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.4 pp -69.27 -25.66 64.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.3 mt-10 -74.0 -30.65 62.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.973 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.518 ' O ' ' HB2' ' A' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -76.49 -29.11 56.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.721 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -79.21 150.48 31.61 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.95 -59.1 0.25 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' NLE . 6.4 mt-10 -51.95 -62.24 1.76 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.148 0.28 . . . . 0.0 111.241 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -41.68 -55.94 2.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.943 0.152 . . . . 0.0 111.218 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 tp -68.31 -48.28 65.33 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.83 -39.31 52.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.746 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.97 -42.73 23.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.006 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.001 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 8.0 tm-20 -63.78 -35.92 82.18 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -64.03 -32.17 73.62 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.935 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -20.82 60.26 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.44 177.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.001 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.84 -39.14 7.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.704 0.288 . . . . 0.0 110.288 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 6.1 t-20 -59.77 -48.78 80.29 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -54.45 -27.63 38.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.237 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -77.08 -56.6 4.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.598 0.237 . . . . 0.0 111.183 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.99 -19.5 18.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.394 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.444 ' O ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -27.82 58.49 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.986 0.422 . . . . 0.0 110.393 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.46 -26.59 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.111 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 41' ' ' ILE . 19.8 mm . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.988 0.899 . . . . 0.0 111.716 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -125.04 171.44 10.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.132 0.491 . . . . 0.0 111.393 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 mt -150.16 -73.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.346 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.26 -53.57 27.43 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.253 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.783 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.4 ptm180 -62.23 -38.49 89.42 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -43.18 77.18 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.0 -45.55 80.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.833 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 16' ' ' ARG . 6.9 mt -60.28 -32.94 71.66 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.82 -26.27 44.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.66 62.58 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' HB2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -67.47 153.89 42.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.066 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.47 -60.38 0.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.441 0.163 . . . . 0.0 110.764 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -53.27 -52.07 60.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.952 178.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -47.22 -34.04 6.04 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.887 179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 43.7 tp -100.19 -43.14 6.41 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.529 -0.107 . . . . 0.0 111.041 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.61 22.12 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.657 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -83.01 -39.73 20.89 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.293 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.3 tp10 -69.54 -30.85 68.77 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.374 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -58.59 -33.98 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.993 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 1.3 t-80 -69.38 -21.38 63.79 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.862 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.4 ptmm? -100.8 -45.76 5.36 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -42.94 80.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 12.9 mmp_? -61.23 -26.51 67.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.246 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -73.86 -55.17 6.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.675 0.274 . . . . 0.0 110.562 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.5 -22.87 56.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.968 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -37.45 71.9 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -89.24 -35.5 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.488 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.231 0.539 . . . . 0.0 110.935 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -124.42 161.37 26.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.326 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 1.8 pp 173.06 147.37 0.05 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 14' ' ' LEU . 1.2 tt 68.27 -65.86 0.25 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.64 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 ptp180 -63.71 -37.56 87.82 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -67.57 -36.23 80.53 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.135 0.493 . . . . 0.0 110.234 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.24 -47.07 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.54 -25.43 66.66 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.644 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -86.97 -26.11 23.98 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.78 68.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.8 tpp85 -76.48 164.02 26.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.027 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.19 -61.17 0.29 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.935 -0.121 . . . . 0.0 110.873 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -54.95 -51.99 64.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.839 178.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.69 11.79 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.598 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ALA . 27.9 tp -96.73 -48.21 5.57 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.66 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -36.46 33.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.73 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -82.93 -39.85 20.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.948 0.404 . . . . 0.0 110.512 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tt0 -73.41 -31.08 63.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.812 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -62.53 -34.67 77.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.583 -0.698 . . . . 0.0 110.246 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -22.36 62.69 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.71 -41.98 7.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.63 -49.42 75.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.408 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -50.4 -30.2 11.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -77.25 -56.61 4.41 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.914 0.387 . . . . 0.0 110.327 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD12 ' HD3' ' A' ' 33' ' ' LYS . 2.6 mt -59.2 -17.56 28.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.301 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -30.26 68.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.212 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mm -97.98 -31.53 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.413 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 120.824 0.345 . . . . 0.0 111.032 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.62 174.32 5.16 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.314 0.578 . . . . 0.0 111.26 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt 63.13 -65.75 0.1 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.417 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 mp -52.52 -50.37 62.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 110.39 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 4.8 ptm180 -70.22 -39.34 75.17 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.056 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -64.2 -37.88 89.06 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.846 0.355 . . . . 0.0 111.206 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -44.18 60.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.782 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.0 pp -69.86 -24.71 63.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -84.68 -27.41 27.09 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.957 ' HA ' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.64 -32.81 66.16 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.61 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -75.11 160.05 30.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.96 -60.59 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.327 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -54.28 -49.19 70.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.978 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -33.85 11.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.408 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.2 tp -98.03 -45.5 6.23 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.612 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.87 -38.72 23.31 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.673 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -80.89 -37.75 29.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -72.97 -37.91 66.88 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 179.488 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.78 76.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -27.64 57.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.033 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -95.17 -49.15 5.63 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -52.27 -44.79 65.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.031 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -58.48 -26.12 63.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 51.8 mttm -83.04 -47.3 11.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.605 0.241 . . . . 0.0 111.424 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HD3' ' A' ' 33' ' ' LYS . 19.6 mt -43.93 -29.06 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.879 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.27 -33.07 72.67 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.126 0.488 . . . . 0.0 110.127 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mt -95.52 -33.38 4.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.953 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.089 0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.1 163.54 16.1 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 mt 66.5 -65.3 0.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.076 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.56 -55.89 2.21 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.4 ptp180 -61.75 -42.51 99.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.434 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -38.93 86.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 109.98 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.43 -47.51 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.236 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 16' ' ' ARG . 1.6 pp -67.94 -25.34 65.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.512 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.56 -27.0 29.6 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.429 ' HB2' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -70.03 -37.53 75.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -61.15 152.28 28.98 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.134 177.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.5 -59.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.324 -0.15 . . . . 0.0 111.107 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -57.08 -66.97 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 179.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -42.71 -44.07 4.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.765 0.317 . . . . 0.0 110.705 179.043 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.16 -56.98 6.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.36 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.692 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 37.9 mm-40 -76.12 -46.16 30.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.595 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.186 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 24.8 tp10 -73.0 -38.27 66.67 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.504 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.98 96.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.7 -25.6 60.55 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.959 177.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.186 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.51 -51.09 5.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.891 178.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 5.1 t30 -52.12 -43.58 64.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.996 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -56.31 -28.64 59.52 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 11.4 mmtm -79.78 -55.92 4.65 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.641 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD12 ' HE2' ' A' ' 33' ' ' LYS . 48.2 mt -45.8 -26.75 0.71 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.601 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -36.98 75.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 109.594 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -86.25 -35.12 8.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.5 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 179.769 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 2.7 p80 -104.6 -179.86 4.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.427 0.632 . . . . 0.0 111.632 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 23.0 mt 72.77 -60.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.945 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 1.3 pt? -48.59 -43.03 35.61 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 6.0 ptm180 -76.67 -40.73 48.04 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.447 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 mp0 -62.26 -37.8 86.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -45.77 73.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.915 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.6 pp -68.11 -26.67 65.92 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.064 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 19' ' ' LEU . 3.1 mt-10 -80.28 -27.6 38.53 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.126 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 -40.17 57.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.287 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.6 tpp85 -63.61 154.49 32.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.49 -61.39 0.36 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -54.79 -49.94 69.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.502 178.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -48.08 -35.42 11.28 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.531 179.409 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 31' ' ' ALA . 44.3 tp -97.07 -44.39 7.0 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.935 -0.12 . . . . 0.0 110.878 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.08 16.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.697 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -82.99 -39.16 21.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.435 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp10 -71.12 -28.01 64.0 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.17 -39.05 88.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -61.56 -25.86 67.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.543 178.025 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 ptmm? -96.73 -46.74 6.16 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.65 -45.76 77.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 6.0 mmp_? -56.38 -26.92 54.62 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.148 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HE3' ' CE1' ' A' ' 32' ' ' HIS . 20.3 mttm -78.92 -57.36 3.79 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.59 0.233 . . . . 0.0 110.858 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.04 -23.56 3.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.369 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.01 -26.71 60.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.483 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mt -102.2 -27.74 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.613 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.3 p80 -68.84 177.73 2.45 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.433 0.635 . . . . 0.0 111.611 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 36.9 mt 71.43 -62.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.674 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -48.41 77.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.149 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.94 -38.02 85.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.763 178.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -67.25 -34.86 78.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -44.14 55.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.2 pp -67.2 -27.64 67.43 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.153 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.0 mm-40 -81.91 -27.21 33.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.713 177.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.472 ' HE3' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.9 73.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.102 177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.6 tpp85 -73.13 160.34 32.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.23 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.35 -60.7 0.25 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.454 0.168 . . . . 0.0 111.024 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.0 tt0 -54.97 -50.75 68.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.467 0.307 . . . . 0.0 110.886 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -28.55 39.08 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.694 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.99 -46.11 6.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 117.087 -0.051 . . . . 0.0 111.071 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.85 54.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.141 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -81.71 -35.53 29.67 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.047 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 7.3 tt0 -74.97 -36.35 62.05 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.496 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' ARG . . . -54.26 -43.59 71.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.6 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.723 177.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.047 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.06 -43.6 6.29 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.924 179.511 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.611 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.5 -38.28 90.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 13.2 mmm-85 -60.98 -27.72 68.49 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 22.9 mmtm -77.15 -52.46 9.23 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.436 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.0 mt -50.21 -21.36 1.31 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.288 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.18 -32.8 73.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.034 0.445 . . . . 0.0 110.069 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.8 mt -90.7 -34.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 37' ' ' LEU . 5.9 tt . . . . . 0 C--O 1.232 0.161 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 169.84 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.656 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 mt -149.08 -73.32 0.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.46 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.16 -54.87 14.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 1.069 ' HA ' HD12 ' A' ' 19' ' ' LEU . 14.5 ptm180 -64.32 -33.27 75.44 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.303 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.36 -40.85 98.39 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -42.09 81.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.069 HD12 ' HA ' ' A' ' 16' ' ' ARG . 10.5 mt -58.66 -34.9 71.76 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.295 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -27.6 55.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.909 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.22 70.28 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLU . 8.7 tpp180 -67.79 160.95 27.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.774 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.44 -61.83 0.34 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.581 0.229 . . . . 0.0 110.763 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.6 tt0 -55.16 -49.51 71.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -57.86 -15.73 9.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.37 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -114.45 -46.05 2.99 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 117.472 0.124 . . . . 0.0 111.212 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -38.31 46.18 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -81.52 -36.57 29.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.072 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 5.6 tm-20 -71.22 -36.79 71.98 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.12 78.23 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.166 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -22.02 62.86 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.072 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.36 -37.77 8.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.606 0.241 . . . . 0.0 110.517 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -61.6 -47.83 83.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -53.34 -30.32 38.74 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mmtm -73.24 -53.46 10.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.59 -24.56 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.493 ' HE2' HD11 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.73 -28.89 50.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 110.03 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mt -102.29 -27.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.158 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 41' ' ' ILE . 20.8 mm . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.926 0.869 . . . . 0.0 112.004 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 16' ' ' ARG . 1.4 p-80 -65.69 177.99 1.12 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 111.756 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.2 mt 67.92 -69.16 0.15 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -47.38 77.98 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.65 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -64.13 -40.24 95.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.171 178.621 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.65 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -62.6 -37.89 88.01 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 t -68.16 -47.9 76.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.458 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.2 pp -70.21 -22.82 62.89 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.311 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.7 mt-10 -79.48 -31.2 42.33 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.52 58.29 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.15 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -89.77 150.12 22.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.043 179.063 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.13 -56.9 0.23 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -56.8 -64.34 0.91 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 122.979 0.174 . . . . 0.0 111.253 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -40.41 -57.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 122.94 0.15 . . . . 0.0 111.326 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.2 -49.65 66.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.81 56.75 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.231 -0.587 . . . . 0.0 109.882 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -77.52 -42.97 33.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.99 -35.88 77.21 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.79 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.33 62.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -27.64 64.72 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.385 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.9 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -98.55 -46.01 5.89 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.477 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -53.75 -44.89 70.36 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.921 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.88 -27.32 63.17 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.198 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -80.45 -46.58 15.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.368 . . . . 0.0 111.439 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt -46.26 -27.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.698 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -29.73 66.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 0.0 110.432 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.2 mt -99.93 -30.71 3.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.34 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 122.675 0.39 . . . . 0.0 111.753 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 146.8 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.615 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.88 -58.62 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.353 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -48.13 -57.43 5.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -46.59 79.95 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -43.43 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 110.352 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -43.01 69.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.068 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.9 mt -62.43 -33.65 75.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.29 -26.54 47.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.803 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.41 ' HA ' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.453 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 3.6 tpp85 -66.57 157.39 32.45 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.297 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.21 -60.87 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.767 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -53.31 -50.21 65.42 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -53.8 -22.78 10.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.841 179.411 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . 19.2 tp -106.25 -45.78 4.22 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.457 -0.152 . . . . 0.0 110.867 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -37.71 34.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.71 0.29 . . . . 0.0 110.651 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -82.55 -39.58 22.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 109.979 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 1.2 tp10 -67.8 -36.73 80.94 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.124 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -57.18 -41.64 79.69 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -26.55 66.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.897 177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.908 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.47 -53.63 4.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.38 -46.87 47.82 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.871 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -54.58 -28.58 47.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -80.97 -50.29 9.9 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.329 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 33' ' ' LYS . 83.9 mt -58.72 -19.61 41.58 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.959 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.535 ' HA ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -27.56 63.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.986 0.422 . . . . 0.0 110.427 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.98 -28.57 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.807 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 38' ' ' NLE . 9.7 tt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.806 0.336 . . . . 0.0 111.624 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -68.22 171.7 6.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.311 0.577 . . . . 0.0 111.422 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 8.3 mt 68.57 -61.95 0.39 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.385 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -47.22 47.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 111.216 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 2.6 ptp180 -60.07 -40.51 89.77 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.36 -37.72 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.137 0.494 . . . . 0.0 109.971 178.561 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.21 -47.44 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.6 pp -67.09 -25.3 66.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.0 mm-40 -84.56 -27.78 27.06 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.809 ' HA ' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -28.8 61.12 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.417 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.79 155.37 38.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.542 178.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.69 -58.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -52.55 -52.14 56.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.175 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -24.49 12.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 tp -100.14 -48.66 4.55 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -36.92 39.87 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.8 0.333 . . . . 0.0 110.611 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -82.14 -40.25 22.09 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.043 0.449 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 1.156 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.1 tt0 -71.78 -32.75 67.97 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.655 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.18 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.596 -0.69 . . . . 0.0 110.391 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -71.33 -22.42 61.92 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.516 178.096 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.156 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -99.59 -41.57 7.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.815 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 38' ' ' NLE . 0.1 OUTLIER -60.56 -44.27 96.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.92 -31.62 50.85 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.49 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 20.4 mmtm -72.73 -55.42 6.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.32 -23.47 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.922 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' NLE . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -37.8 67.57 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -87.25 -34.91 7.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.237 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.756 179.566 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.55 -45.13 56.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 3.1 ptp180 -59.73 -40.97 89.8 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -37.93 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.24 -47.87 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.02 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.5 pp -67.85 -25.66 65.65 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.663 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mm-40 . . . . . 0 N--CA 1.445 -0.691 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -79.33 159.08 27.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.355 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.61 -59.05 0.23 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.67 -56.31 21.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.275 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -32.56 18.01 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.473 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -90.63 -49.0 6.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.923 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.66 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 109.947 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -80.76 -41.75 22.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.44 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.922 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.3 tt0 -69.65 -33.44 72.61 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.249 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.85 91.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -61.65 -26.41 67.99 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.175 177.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.922 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -93.7 -44.03 8.36 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -58.6 -43.36 89.51 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -31.46 48.51 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.381 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -76.95 -54.66 6.28 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.541 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.749 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.3 mt . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.698 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.4 mp -84.74 -36.68 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.694 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.72 -48.04 15.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.693 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -68.7 -40.47 80.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.195 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.25 -36.09 76.79 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.905 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.33 -47.51 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.649 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.693 HD23 ' HA ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -60.92 -31.85 71.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.441 -0.503 . . . . 0.0 109.958 178.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.447 -0.6 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.018 178.113 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -64.3 159.66 20.5 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.099 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.56 -60.95 0.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.485 0.183 . . . . 0.0 110.731 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -56.76 -58.02 9.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.162 179.046 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -46.58 -35.58 6.0 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.528 179.601 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -89.55 -49.97 6.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.22 48.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.512 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.86 -42.04 25.05 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.897 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -71.84 -37.98 70.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.483 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.47 95.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -54.4 -29.59 49.42 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.897 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -90.57 -53.14 4.55 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.1 t-20 -53.2 -43.54 67.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -29.72 60.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.778 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -81.28 -47.14 13.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HD3' ' A' ' 33' ' ' LYS . 20.7 mt . . . . . 0 CA--C 1.533 0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.87 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.61 -28.48 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.007 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 41' ' ' ILE . 41.5 mt . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 122.047 0.927 . . . . 0.0 111.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.42 0.152 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.62 -49.3 73.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.945 0.403 . . . . 0.0 110.214 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.5 mp0 -66.51 -35.95 81.52 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -43.57 56.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.093 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.4 pp -66.99 -26.28 66.73 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.659 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.6 tpp85 -86.11 158.29 19.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.916 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.66 -59.06 0.3 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.261 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.4 tt0 -53.67 -48.42 69.48 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.58 0.352 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.96 -19.05 62.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.558 0.218 . . . . 0.0 111.5 179.52 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.8 tp -99.12 -51.91 3.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.75 60.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 0.0 110.626 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -77.39 -41.46 39.98 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.076 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 19.4 tp10 -76.44 -35.99 58.21 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.042 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.3 84.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.52 -26.3 61.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.037 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.9 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.11 -50.18 5.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.815 179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -53.79 -45.58 70.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.666 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.25 -27.97 64.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.35 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 38.5 mttm -73.78 -54.32 8.29 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 109.823 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.588 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mt -81.89 -36.52 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.048 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.643 179.452 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -43.46 -52.21 6.19 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.457 0.303 . . . . 0.0 111.556 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 4.9 ptm180 -57.79 -46.24 84.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.158 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.89 -47.53 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.0 pp -69.77 -22.71 63.32 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.884 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.5 mt-10 . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -89.1 151.65 22.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.292 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.19 -57.07 0.29 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.7 mt-10 -55.58 -40.13 71.61 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -61.55 -23.79 66.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . 34.4 tp -108.85 -43.58 4.2 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.896 -0.138 . . . . 0.0 110.843 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.9 -38.87 23.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.517 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -82.64 -35.77 26.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.89 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -73.83 -35.22 64.81 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.859 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -54.92 -40.09 69.51 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -61.53 -24.9 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.128 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.89 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.08 -52.03 4.58 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.47 -49.15 62.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -50.78 -31.64 17.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.988 178.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 37.3 mttm -76.81 -53.78 7.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.347 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 40' ' ' ILE . 30.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 37' ' ' LEU . 3.0 mt -94.43 -28.1 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.619 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.217 0.532 . . . . 0.0 111.624 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.08 -51.78 9.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.687 0.28 . . . . 0.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.93 -45.97 78.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 179.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.41 -41.28 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.043 0.449 . . . . 0.0 110.197 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.22 -45.24 76.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.065 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 16' ' ' ARG . 8.0 mt -60.37 -33.01 71.84 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.813 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -86.34 161.71 18.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.85 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.91 -58.95 0.25 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -58.14 -72.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.026 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -45.98 2.01 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.28 -57.99 6.32 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.279 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.416 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 38.3 mm-40 -72.39 -47.33 50.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.027 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.9 tp10 -72.66 -40.88 65.98 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -59.49 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -56.66 -26.26 55.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.859 177.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.908 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.61 -51.46 5.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.888 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB2' ' OE1' ' A' ' 30' ' ' GLU . 6.8 t-20 -49.33 -50.46 39.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.004 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 7.2 mmp_? -55.17 -24.45 26.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.678 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' HIS . 3.6 mtpt -82.67 -52.63 6.61 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-O 120.808 0.337 . . . . 0.0 111.049 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.464 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.623 179.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 121.144 0.497 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.6 mt -90.52 -32.97 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.127 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.958 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 mt -48.03 -49.93 29.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.571 0.224 . . . . 0.0 110.973 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -58.26 -40.18 81.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.75 0.31 . . . . 0.0 111.061 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.98 -32.17 66.99 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.059 0.456 . . . . 0.0 110.264 178.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.95 45.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.846 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.545 HD13 ' NH1' ' A' ' 23' ' ' ARG . 3.7 pp -68.48 -27.57 66.26 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.113 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.826 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.918 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' NH1' HD13 ' A' ' 19' ' ' LEU . 5.5 ttm180 -65.33 157.09 30.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.36 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.62 -60.52 0.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.718 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -53.59 -46.82 70.49 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.177 179.081 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -59.36 -11.92 5.02 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' ALA . 14.1 tp -117.53 -49.76 2.55 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.41 -0.181 . . . . 0.0 110.789 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.63 47.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.663 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -88.37 -31.28 18.96 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.317 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.894 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tp10 -77.59 -30.17 52.35 Favored 'General case' 0 CA--C 1.527 0.07 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.816 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.01 -38.01 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.164 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -66.17 -23.57 66.49 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.678 178.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.894 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.7 ptmm? -95.01 -46.97 6.6 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -54.39 -48.59 71.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.309 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -31.65 14.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.073 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 22.4 mttt -77.53 -54.47 6.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.777 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.235 0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.643 178.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.232 0.166 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.1 mt -81.16 -34.05 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.439 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.461 0.09 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.75 179.442 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.24 -49.88 22.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.659 0.266 . . . . 0.0 111.22 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 12.9 ptm180 -60.29 -35.72 76.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.3 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -34.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 0.0 109.709 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.41 -46.73 75.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.905 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.6 pp -66.55 -25.75 66.8 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.595 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.019 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -83.22 160.25 21.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.637 179.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.94 -59.78 0.31 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.537 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.3 tm-20 -54.72 -63.64 1.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.012 0.195 . . . . 0.0 110.989 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -40.18 -54.73 2.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ALA . 39.8 tp -69.24 -49.88 52.23 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.783 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.64 50.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.105 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -81.66 -41.98 20.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.405 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.893 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -70.27 -31.07 68.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.74 -36.01 77.82 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.949 -0.469 . . . . 0.0 109.926 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.458 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -66.82 -23.95 66.11 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.381 177.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.893 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.5 ptmm? -94.45 -48.81 5.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -41.98 71.37 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -26.46 60.98 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -85.25 -52.82 5.64 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.03 0.443 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mm -87.38 -34.69 7.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.964 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.849 0.357 . . . . 0.0 111.213 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mp -46.81 -52.18 14.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.228 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.96 97.81 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.715 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.55 -42.74 71.29 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.207 0.527 . . . . 0.0 109.91 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.51 -45.71 81.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.15 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 9.3 mt -59.32 -33.97 71.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.924 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.907 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.27 163.23 15.76 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.003 178.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.16 -61.56 0.28 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -54.69 -59.94 4.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.754 178.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -44.64 -41.78 6.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.33 -51.24 9.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.7 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.941 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 1.8 pt20 -84.26 -39.57 19.09 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 110.776 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.904 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 2.2 tp10 -75.95 -33.92 59.82 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.354 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.86 75.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.966 0.348 . . . . 0.0 110.09 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -60.63 -26.52 67.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.754 177.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.904 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -91.09 -52.59 4.76 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.677 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -40.8 64.86 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.872 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.87 -30.74 66.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.438 0.161 . . . . 0.0 110.783 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 20.3 mmtp -76.34 -52.16 10.48 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.424 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' A' ' 33' ' ' LYS . 31.5 mt . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.48 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -88.89 -35.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.993 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.53 -52.93 26.35 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.754 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.05 -37.46 74.43 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.063 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -41.95 87.89 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.169 0.509 . . . . 0.0 109.856 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -44.16 77.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.628 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.82 -34.24 72.81 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.184 178.587 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -71.43 160.77 32.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.08 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 27' ' ' LEU . . . 66.83 -59.22 0.38 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.8 tt0 -55.89 -56.41 21.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.077 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.524 ' NE2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.38 -31.62 15.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.612 0.244 . . . . 0.0 111.602 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -90.68 -50.31 5.98 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.146 -0.221 . . . . 0.0 110.879 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.48 -37.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.801 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -73.62 -43.78 58.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 18.6 tp10 -78.03 -35.36 49.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.077 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.684 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -57.21 -47.29 81.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 t60 -52.1 -28.32 17.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.325 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.5 -45.71 7.64 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.405 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -50.93 -50.81 56.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.395 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 5.7 mmm180 -58.75 -24.15 61.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.305 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 33.5 mmtm -74.56 -54.62 7.13 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.053 0.454 . . . . 0.0 110.133 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.242 178.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.211 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mt -90.08 -36.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.657 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.46 0.171 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -46.82 -49.76 19.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.688 0.28 . . . . 0.0 111.428 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.61 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -42.78 99.04 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.404 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -66.92 -35.91 81.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.401 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -44.07 48.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.665 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.4 pp -69.27 -25.66 64.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.3 mt-10 . . . . . 0 N--CA 1.445 -0.718 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.973 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -79.21 150.48 31.61 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.95 -59.1 0.25 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.4 mt-10 -51.95 -62.24 1.76 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.148 0.28 . . . . 0.0 111.241 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -41.68 -55.94 2.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.943 0.152 . . . . 0.0 111.218 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 tp -68.31 -48.28 65.33 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.83 -39.31 52.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.746 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.97 -42.73 23.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.006 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.001 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 8.0 tm-20 -63.78 -35.92 82.18 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -64.03 -32.17 73.62 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.935 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -73.93 -20.82 60.26 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.44 177.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 1.001 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.84 -39.14 7.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.704 0.288 . . . . 0.0 110.288 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 6.1 t-20 -59.77 -48.78 80.29 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -54.45 -27.63 38.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.237 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -77.08 -56.6 4.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.598 0.237 . . . . 0.0 111.183 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.394 179.472 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.986 0.422 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.46 -26.59 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.111 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 41' ' ' ILE . 19.8 mm . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.988 0.899 . . . . 0.0 111.716 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 111.346 0.128 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.26 -53.57 27.43 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.253 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.783 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.4 ptm180 -62.23 -38.49 89.42 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -43.18 77.18 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.0 -45.55 80.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.833 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 16' ' ' ARG . 6.9 mt -60.28 -32.94 71.66 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -0.995 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' HB2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -67.47 153.89 42.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.066 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.47 -60.38 0.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.441 0.163 . . . . 0.0 110.764 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -53.27 -52.07 60.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.952 178.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 2.2 pp0? -47.22 -34.04 6.04 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.887 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 43.7 tp -100.19 -43.14 6.41 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.529 -0.107 . . . . 0.0 111.041 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.61 22.12 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.657 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -83.01 -39.73 20.89 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.293 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.3 tp10 -69.54 -30.85 68.77 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.374 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -58.59 -33.98 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.993 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.0 t60 -69.38 -21.38 63.79 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.862 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.4 ptmm? -100.8 -45.76 5.36 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -42.94 80.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 12.9 mmp_? -61.23 -26.51 67.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.246 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -73.86 -55.17 6.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.675 0.274 . . . . 0.0 110.562 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.968 178.082 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.461 0.124 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -89.24 -35.5 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.488 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.231 0.539 . . . . 0.0 110.935 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 15' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 14' ' ' LEU . 1.2 tt 68.27 -65.86 0.25 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.64 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 ptp180 -63.71 -37.56 87.82 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -36.23 80.53 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.135 0.493 . . . . 0.0 110.234 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.24 -47.07 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.54 -25.43 66.66 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.644 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.8 tpp85 -76.48 164.02 26.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.027 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.19 -61.17 0.29 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.935 -0.121 . . . . 0.0 110.873 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -54.95 -51.99 64.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.839 178.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.4 pp0? -50.67 -29.69 11.79 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.598 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 27.9 tp -96.73 -48.21 5.57 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.66 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -36.46 33.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.73 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -82.93 -39.85 20.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.948 0.404 . . . . 0.0 110.512 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tt0 -73.41 -31.08 63.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.812 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -62.53 -34.67 77.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.583 -0.698 . . . . 0.0 110.246 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.46 -22.36 62.69 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.71 -41.98 7.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.63 -49.42 75.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.408 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -50.4 -30.2 11.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -77.25 -56.61 4.41 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.914 0.387 . . . . 0.0 110.327 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD12 ' HD3' ' A' ' 33' ' ' LYS . 2.6 mt . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.301 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mm -97.98 -31.53 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.413 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 120.824 0.345 . . . . 0.0 111.032 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.52 -50.37 62.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 110.39 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 4.8 ptm180 -70.22 -39.34 75.17 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.056 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -64.2 -37.88 89.06 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.846 0.355 . . . . 0.0 111.206 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -44.18 60.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.782 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.0 pp -69.86 -24.71 63.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -75.11 160.05 30.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.96 -60.59 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.327 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -54.28 -49.19 70.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.978 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -48.9 -33.85 11.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.408 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 32.2 tp -98.03 -45.5 6.23 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.612 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.87 -38.72 23.31 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.673 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -80.89 -37.75 29.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -72.97 -37.91 66.88 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 179.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.78 76.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -56.45 -27.64 57.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.033 178.028 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -95.17 -49.15 5.63 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.27 -44.79 65.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.031 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -58.48 -26.12 63.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 51.8 mttm -83.04 -47.3 11.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.605 0.241 . . . . 0.0 111.424 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HD3' ' A' ' 33' ' ' LYS . 19.6 mt . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.879 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 121.126 0.488 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mt -95.52 -33.38 4.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.953 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.089 0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.56 -55.89 2.21 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.4 ptp180 -61.75 -42.51 99.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.434 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -38.93 86.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 109.98 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.43 -47.51 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.236 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 16' ' ' ARG . 1.6 pp -67.94 -25.34 65.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.512 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -61.15 152.28 28.98 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.134 177.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.5 -59.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.324 -0.15 . . . . 0.0 111.107 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -57.08 -66.97 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 179.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -42.71 -44.07 4.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.765 0.317 . . . . 0.0 110.705 179.043 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.16 -56.98 6.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.36 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.692 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 37.9 mm-40 -76.12 -46.16 30.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.595 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.186 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 24.8 tp10 -73.0 -38.27 66.67 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.504 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.98 96.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.7 -25.6 60.55 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.959 177.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 1.186 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.51 -51.09 5.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.891 178.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 5.1 t30 -52.12 -43.58 64.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.996 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -56.31 -28.64 59.52 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 11.4 mmtm -79.78 -55.92 4.65 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.641 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD12 ' HE2' ' A' ' 33' ' ' LYS . 48.2 mt . . . . . 0 N--CA 1.467 0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.601 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -86.25 -35.12 8.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.5 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 179.769 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 1.3 pt? -48.59 -43.03 35.61 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 6.0 ptm180 -76.67 -40.73 48.04 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.447 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 mp0 -62.26 -37.8 86.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -45.77 73.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.915 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.6 pp -68.11 -26.67 65.92 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.064 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 19' ' ' LEU . 3.1 mt-10 . . . . . 0 N--CA 1.441 -0.877 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.126 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.6 tpp85 -63.61 154.49 32.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.49 -61.39 0.36 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -54.79 -49.94 69.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.502 178.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.519 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.5 pp0? -48.08 -35.42 11.28 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.531 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 31' ' ' ALA . 44.3 tp -97.07 -44.39 7.0 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.935 -0.12 . . . . 0.0 110.878 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.08 16.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.697 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -82.99 -39.16 21.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.435 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp10 -71.12 -28.01 64.0 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.17 -39.05 88.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -61.56 -25.86 67.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.543 178.025 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 ptmm? -96.73 -46.74 6.16 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.65 -45.76 77.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 6.0 mmp_? -56.38 -26.92 54.62 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.148 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -78.92 -57.36 3.79 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.59 0.233 . . . . 0.0 110.858 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.466 0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.369 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mt -102.2 -27.74 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.613 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.441 0.162 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -48.41 77.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.149 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.94 -38.02 85.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.763 178.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -67.25 -34.86 78.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -44.14 55.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.2 pp -67.2 -27.64 67.43 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.153 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.0 mm-40 . . . . . 0 N--CA 1.445 -0.7 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.713 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.6 tpp85 -73.13 160.34 32.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.23 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.35 -60.7 0.25 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.454 0.168 . . . . 0.0 111.024 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.0 tt0 -54.97 -50.75 68.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.467 0.307 . . . . 0.0 110.886 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.441 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -54.03 -28.55 39.08 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.694 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 17.1 tp -97.99 -46.11 6.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 117.087 -0.051 . . . . 0.0 111.071 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.85 54.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.141 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -81.71 -35.53 29.67 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.047 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 7.3 tt0 -74.97 -36.35 62.05 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.496 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' ARG . . . -54.26 -43.59 71.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 1.3 t60 -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.723 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 1.047 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.06 -43.6 6.29 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.924 179.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.611 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.5 -38.28 90.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 13.2 mmm-85 -60.98 -27.72 68.49 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 22.9 mmtm -77.15 -52.46 9.23 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.436 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.0 mt . . . . . 0 CA--C 1.535 0.366 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.288 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 121.034 0.445 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.8 mt -90.7 -34.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 37' ' ' LEU . 5.9 tt . . . . . 0 C--O 1.232 0.161 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.16 -54.87 14.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 1.069 ' HA ' HD12 ' A' ' 19' ' ' LEU . 14.5 ptm180 -64.32 -33.27 75.44 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.303 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.36 -40.85 98.39 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -42.09 81.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.069 HD12 ' HA ' ' A' ' 16' ' ' ARG . 10.5 mt -58.66 -34.9 71.76 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.295 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.909 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLU . 8.7 tpp180 -67.79 160.95 27.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.774 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.44 -61.83 0.34 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.581 0.229 . . . . 0.0 110.763 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.6 tt0 -55.16 -49.51 71.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.4 pp0? -57.86 -15.73 9.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.37 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 12.9 tp -114.45 -46.05 2.99 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 117.472 0.124 . . . . 0.0 111.212 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -38.31 46.18 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -81.52 -36.57 29.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.948 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 5.6 tm-20 -71.22 -36.79 71.98 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.12 78.23 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.166 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -70.32 -22.02 62.86 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.948 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.36 -37.77 8.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.606 0.241 . . . . 0.0 110.517 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' CA ' ' HZ1' ' A' ' 33' ' ' LYS . 5.2 t-20 -61.6 -47.83 83.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.441 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -53.34 -30.32 38.74 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mmtm -73.24 -53.46 10.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mt -102.29 -27.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.158 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 41' ' ' ILE . 20.8 mm . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.926 0.869 . . . . 0.0 112.004 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.2 mt . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.383 0.135 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -47.38 77.98 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.65 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -64.13 -40.24 95.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.171 178.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.65 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -62.6 -37.89 88.01 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 t -68.16 -47.9 76.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.458 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.2 pp -70.21 -22.82 62.89 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.311 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.7 mt-10 . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -89.77 150.12 22.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.043 179.063 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.13 -56.9 0.23 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -56.8 -64.34 0.91 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 122.979 0.174 . . . . 0.0 111.253 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.41 -57.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 122.94 0.15 . . . . 0.0 111.326 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.2 -49.65 66.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.81 56.75 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.231 -0.587 . . . . 0.0 109.882 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -77.52 -42.97 33.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.99 -35.88 77.21 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.79 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.33 62.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -58.53 -27.64 64.72 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.385 177.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.9 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -98.55 -46.01 5.89 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.75 -44.89 70.36 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.921 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.88 -27.32 63.17 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.198 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -80.45 -46.58 15.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.368 . . . . 0.0 111.439 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.698 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.2 mt -99.93 -30.71 3.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.34 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 122.675 0.39 . . . . 0.0 111.753 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -48.13 -57.43 5.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -46.59 79.95 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -43.43 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 110.352 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -43.01 69.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.068 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.9 mt -62.43 -33.65 75.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.803 178.426 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 3.6 tpp85 -66.57 157.39 32.45 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.297 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.21 -60.87 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.767 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -53.31 -50.21 65.42 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -53.8 -22.78 10.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.841 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.2 tp -106.25 -45.78 4.22 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.457 -0.152 . . . . 0.0 110.867 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -37.71 34.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.71 0.29 . . . . 0.0 110.651 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -82.55 -39.58 22.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 109.979 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 1.2 tp10 -67.8 -36.73 80.94 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.124 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -57.18 -41.64 79.69 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -60.17 -26.55 66.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.897 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.908 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.47 -53.63 4.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.38 -46.87 47.82 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.871 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -54.58 -28.58 47.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -80.97 -50.29 9.9 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.329 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 33' ' ' LYS . 83.9 mt . . . . . 0 CA--C 1.533 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.959 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 120.986 0.422 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.98 -28.57 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.807 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.806 0.336 . . . . 0.0 111.624 -179.668 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 111.385 0.143 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -47.22 47.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 111.216 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 2.6 ptp180 -60.07 -40.51 89.77 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.36 -37.72 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.137 0.494 . . . . 0.0 109.971 178.561 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.21 -47.44 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.6 pp -67.09 -25.3 66.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.0 mm-40 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.79 155.37 38.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.542 178.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.69 -58.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -52.55 -52.14 56.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.175 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -53.39 -24.49 12.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 20.9 tp -100.14 -48.66 4.55 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -36.92 39.87 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.8 0.333 . . . . 0.0 110.611 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -82.14 -40.25 22.09 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.043 0.449 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 1.156 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.1 tt0 -71.78 -32.75 67.97 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.655 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.18 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.596 -0.69 . . . . 0.0 110.391 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 1.8 t60 -71.33 -22.42 61.92 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.516 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 1.156 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -99.59 -41.57 7.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.815 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -60.56 -44.27 96.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.92 -31.62 50.85 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.49 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 20.4 mmtm -72.73 -55.42 6.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.922 177.8 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -87.25 -34.91 7.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.237 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.756 179.566 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -73.43 173.35 9.73 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.266 0.555 . . . . 0.0 110.967 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 7.2 mt 67.96 -62.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.55 -45.13 56.8 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 3.1 ptp180 -59.73 -40.97 89.8 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -37.93 86.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.305 0.574 . . . . 0.0 109.779 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.24 -47.87 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.02 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.5 pp -67.85 -25.66 65.65 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.663 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mm-40 -82.58 -27.39 31.56 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.751 ' HE2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.96 58.32 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.007 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -79.33 159.08 27.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.355 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.61 -59.05 0.23 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.67 -56.31 21.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.275 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -32.56 18.01 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.473 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -90.63 -49.0 6.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.923 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.66 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 109.947 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -80.76 -41.75 22.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.44 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.922 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.3 tt0 -69.65 -33.44 72.61 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.249 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.85 91.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -61.65 -26.41 67.99 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.175 177.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.922 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -93.7 -44.03 8.36 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -58.6 -43.36 89.51 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -31.46 48.51 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.381 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -76.95 -54.66 6.28 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.541 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.749 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.3 mt -57.66 -21.11 38.01 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.698 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -35.6 73.93 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.4 mp -84.74 -36.68 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.694 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 1.3 m80 -116.23 166.35 12.13 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.23 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -116.66 -89.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tp -45.72 -48.04 15.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.911 0.386 . . . . 0.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.693 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -68.7 -40.47 80.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.195 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.25 -36.09 76.79 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.905 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.7 t -69.33 -47.51 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.649 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.693 HD23 ' HA ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -60.92 -31.85 71.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.441 -0.503 . . . . 0.0 109.958 178.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.81 -28.46 50.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.018 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -73.67 -38.63 64.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.095 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -64.3 159.66 20.5 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.099 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.56 -60.95 0.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.485 0.183 . . . . 0.0 110.731 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -56.76 -58.02 9.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.162 179.046 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -46.58 -35.58 6.0 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.528 179.601 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -89.55 -49.97 6.36 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.22 48.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.512 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.86 -42.04 25.05 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.897 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -71.84 -37.98 70.19 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.483 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.47 95.39 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -54.4 -29.59 49.42 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.897 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -90.57 -53.14 4.55 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.1 t-20 -53.2 -43.54 67.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -29.72 60.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.778 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -81.28 -47.14 13.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HD3' ' A' ' 33' ' ' LYS . 20.7 mt -48.5 -26.8 2.33 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.87 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.24 -23.7 54.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.9 mm -106.61 -28.48 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.007 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 41' ' ' ILE . 41.5 mt . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 122.047 0.927 . . . . 0.0 111.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.6 p80 -68.1 178.39 1.87 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.5 0.666 . . . . 0.0 111.628 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 27.5 mt 70.41 -62.99 0.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.784 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.62 -49.3 73.19 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.945 0.403 . . . . 0.0 110.214 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 179.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.5 mp0 -66.51 -35.95 81.52 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -43.57 56.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.093 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.4 pp -66.99 -26.28 66.73 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.659 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.04 -24.9 27.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.02 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.6 tpp85 -86.11 158.29 19.83 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.916 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.66 -59.06 0.3 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.261 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.4 tt0 -53.67 -48.42 69.48 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.58 0.352 . . . . 0.0 111.622 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.96 -19.05 62.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.558 0.218 . . . . 0.0 111.5 179.52 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.8 tp -99.12 -51.91 3.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.38 -35.75 60.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 0.0 110.626 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -77.39 -41.46 39.98 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.076 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 19.4 tp10 -76.44 -35.99 58.21 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.042 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.3 84.34 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.52 -26.3 61.14 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.037 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.9 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.11 -50.18 5.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.815 179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -53.79 -45.58 70.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.666 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.25 -27.97 64.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.35 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 38.5 mttm -73.78 -54.32 8.29 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 109.823 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt -68.34 -13.76 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.588 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.33 -34.97 75.44 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mt -81.89 -36.52 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.048 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.643 179.452 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . 0.511 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.87 170.75 9.06 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.14 0.495 . . . . 0.0 110.993 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 17.7 mt 67.82 -59.09 0.43 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.538 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 12' ' ' DPN . 3.9 mp -43.46 -52.21 6.19 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.457 0.303 . . . . 0.0 111.556 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 4.9 ptm180 -57.79 -46.24 84.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.158 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 179.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -70.89 -47.53 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.0 pp -69.77 -22.71 63.32 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.884 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.5 mt-10 -82.74 -28.22 30.56 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.429 ' O ' ' HB2' ' A' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.89 -19.93 53.85 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.224 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -89.1 151.65 22.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.292 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.19 -57.07 0.29 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.7 mt-10 -55.58 -40.13 71.61 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -61.55 -23.79 66.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . 34.4 tp -108.85 -43.58 4.2 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.896 -0.138 . . . . 0.0 110.843 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.9 -38.87 23.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.517 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -82.64 -35.77 26.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.377 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.89 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -73.83 -35.22 64.81 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.859 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -54.92 -40.09 69.51 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -61.53 -24.9 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.128 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.89 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -94.08 -52.03 4.58 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.47 -49.15 62.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -50.78 -31.64 17.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.988 178.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 37.3 mttm -76.81 -53.78 7.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.347 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 40' ' ' ILE . 30.3 mt -60.07 -21.77 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.794 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.672 ' HA ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.95 -22.49 36.65 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 37' ' ' LEU . 3.0 mt -94.43 -28.1 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.619 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.672 HG22 ' HA ' ' A' ' 38' ' ' NLE . 16.2 tt . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.217 0.532 . . . . 0.0 111.624 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -118.16 177.21 4.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.015 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 18.9 mt 69.82 -57.34 0.55 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.818 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.08 -51.78 9.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.687 0.28 . . . . 0.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.93 -45.97 78.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 179.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' O ' ' HE3' ' A' ' 21' ' ' NLE . 4.1 tt0 -55.41 -41.28 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.043 0.449 . . . . 0.0 110.197 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.22 -45.24 76.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.065 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 16' ' ' ARG . 8.0 mt -60.37 -33.01 71.84 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -26.03 36.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.813 178.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.473 ' HE3' ' O ' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -23.42 59.01 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.922 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -86.34 161.71 18.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.85 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.91 -58.95 0.25 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -58.14 -72.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.026 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -45.98 2.01 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.28 -57.99 6.32 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.279 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -34.85 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.416 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 38.3 mm-40 -72.39 -47.33 50.2 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.027 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 7.9 tp10 -72.66 -40.88 65.98 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -59.49 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -56.66 -26.26 55.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.859 177.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.908 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.61 -51.46 5.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.888 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB2' ' OE1' ' A' ' 30' ' ' GLU . 6.8 t-20 -49.33 -50.46 39.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.004 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 7.2 mmp_? -55.17 -24.45 26.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.678 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' HIS . 3.6 mtpt -82.67 -52.63 6.61 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-O 120.808 0.337 . . . . 0.0 111.049 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.67 -23.17 10.53 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.623 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -34.35 64.92 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.144 0.497 . . . . 0.0 109.811 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.6 mt -90.52 -32.97 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.127 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.958 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -122.14 165.83 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.37 -57.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 mt -48.03 -49.93 29.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.571 0.224 . . . . 0.0 110.973 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -58.26 -40.18 81.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.75 0.31 . . . . 0.0 111.061 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -71.98 -32.17 66.99 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.059 0.456 . . . . 0.0 110.264 178.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.95 45.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.846 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.545 HD13 ' NH1' ' A' ' 23' ' ' ARG . 3.7 pp -68.48 -27.57 66.26 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.113 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -74.55 -29.88 61.53 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.918 178.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.805 ' HE2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.9 -35.0 69.59 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' NH1' HD13 ' A' ' 19' ' ' LEU . 5.5 ttm180 -65.33 157.09 30.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.36 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.62 -60.52 0.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.718 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -53.59 -46.82 70.49 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.177 179.081 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -59.36 -11.92 5.02 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' ALA . 14.1 tp -117.53 -49.76 2.55 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.41 -0.181 . . . . 0.0 110.789 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.63 47.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.726 0.298 . . . . 0.0 110.663 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -88.37 -31.28 18.96 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.317 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.894 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tp10 -77.59 -30.17 52.35 Favored 'General case' 0 CA--C 1.527 0.07 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.816 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.01 -38.01 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.164 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -66.17 -23.57 66.49 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.678 178.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.894 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.7 ptmm? -95.01 -46.97 6.6 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -54.39 -48.59 71.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.309 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -31.65 14.0 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.073 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 22.4 mttt -77.53 -54.47 6.37 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.777 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.22 -23.3 34.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.643 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.52 -36.32 68.29 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.1 mt -81.16 -34.05 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.439 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.461 0.09 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.75 179.442 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . 0.401 ' HD2' ' O ' ' A' ' 13' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 29.4 m-70 -65.76 170.65 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 37.2 mt 68.25 -60.28 0.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.701 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.24 -49.88 22.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.659 0.266 . . . . 0.0 111.22 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 12.9 ptm180 -60.29 -35.72 76.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.3 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -34.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 0.0 109.709 177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.41 -46.73 75.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.905 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.6 pp -66.55 -25.75 66.8 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.595 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -80.28 -27.51 38.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.893 ' HE2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -76.03 -23.19 55.15 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.4 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -83.22 160.25 21.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.637 179.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.94 -59.78 0.31 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.537 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ARG . 1.3 tm-20 -54.72 -63.64 1.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.012 0.195 . . . . 0.0 110.989 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -40.18 -54.73 2.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ALA . 39.8 tp -69.24 -49.88 52.23 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.236 -0.185 . . . . 0.0 110.783 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.64 50.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.105 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -81.66 -41.98 20.62 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.405 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.893 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.2 tp10 -70.27 -31.07 68.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -60.74 -36.01 77.82 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.949 -0.469 . . . . 0.0 109.926 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -66.82 -23.95 66.11 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.381 177.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.893 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 9.5 ptmm? -94.45 -48.81 5.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -41.98 71.37 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.33 -26.46 60.98 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -85.25 -52.82 5.64 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -50.37 -24.47 3.04 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.806 ' HA ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -28.6 61.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.03 0.443 . . . . 0.0 110.152 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.2 mm -87.38 -34.69 7.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.964 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 38' ' ' NLE . 13.8 tt . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.849 0.357 . . . . 0.0 111.213 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -123.12 168.21 12.69 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 13' ' ' HIS . 1.4 mt -146.14 -77.95 0.18 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.36 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mp -46.81 -52.18 14.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.228 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.96 97.81 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.715 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.55 -42.74 71.29 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.207 0.527 . . . . 0.0 109.91 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.51 -45.71 81.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.15 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 9.3 mt -59.32 -33.97 71.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.924 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -27.32 54.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.907 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -75.55 -41.82 53.89 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.319 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.27 163.23 15.76 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.003 178.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.16 -61.56 0.28 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -54.69 -59.94 4.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.754 178.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -44.64 -41.78 6.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.33 -51.24 9.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.46 -34.7 58.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.941 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 1.8 pt20 -84.26 -39.57 19.09 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 110.776 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.904 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 2.2 tp10 -75.95 -33.92 59.82 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.354 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.86 75.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.966 0.348 . . . . 0.0 110.09 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -60.63 -26.52 67.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.754 177.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.904 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -91.09 -52.59 4.76 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.677 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -40.8 64.86 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.872 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.87 -30.74 66.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.438 0.161 . . . . 0.0 110.783 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 20.3 mmtp -76.34 -52.16 10.48 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.424 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' A' ' 33' ' ' LYS . 31.5 mt -53.59 -24.97 15.42 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.48 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.524 ' HE3' ' O ' ' A' ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -35.92 70.33 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -88.89 -35.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.993 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 160.13 20.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -157.01 -66.05 0.1 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.764 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.53 -52.93 26.35 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.754 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.05 -37.46 74.43 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.063 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -41.95 87.89 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.169 0.509 . . . . 0.0 109.856 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -44.16 77.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.628 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.82 -34.24 72.81 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.84 -26.99 60.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.184 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.13 -34.9 64.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.602 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -71.43 160.77 32.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.08 178.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 27' ' ' LEU . . . 66.83 -59.22 0.38 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' ARG . 4.8 tt0 -55.89 -56.41 21.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.077 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.524 ' NE2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.38 -31.62 15.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.612 0.244 . . . . 0.0 111.602 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -90.68 -50.31 5.98 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.146 -0.221 . . . . 0.0 110.879 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.48 -37.23 48.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.715 0.293 . . . . 0.0 110.801 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -73.62 -43.78 58.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 18.6 tp10 -78.03 -35.36 49.86 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.077 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.684 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -57.21 -47.29 81.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 t60 -52.1 -28.32 17.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.325 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.5 -45.71 7.64 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.405 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -50.93 -50.81 56.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.395 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 5.7 mmm180 -58.75 -24.15 61.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.305 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 33.5 mmtm -74.56 -54.62 7.13 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.053 0.454 . . . . 0.0 110.133 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.97 -9.49 52.48 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.242 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -33.69 74.3 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mt -90.08 -36.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.657 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.235 0.341 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 164.68 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.8 -63.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.46 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 mt -46.82 -49.76 19.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.688 0.28 . . . . 0.0 111.428 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.61 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -42.78 99.04 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.404 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -66.92 -35.91 81.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.401 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -44.07 48.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.665 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.4 pp -69.27 -25.66 64.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.3 mt-10 -74.0 -30.65 62.58 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.973 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.518 ' O ' ' HB2' ' A' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -76.49 -29.11 56.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.721 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -79.21 150.48 31.61 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.95 -59.1 0.25 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' NLE . 6.4 mt-10 -51.95 -62.24 1.76 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.148 0.28 . . . . 0.0 111.241 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -41.68 -55.94 2.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.943 0.152 . . . . 0.0 111.218 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 tp -68.31 -48.28 65.33 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.83 -39.31 52.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.746 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -79.97 -42.73 23.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.006 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.001 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 8.0 tm-20 -63.78 -35.92 82.18 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.796 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -64.03 -32.17 73.62 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.935 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -73.93 -20.82 60.26 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.44 177.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 1.001 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.84 -39.14 7.94 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.704 0.288 . . . . 0.0 110.288 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 6.1 t-20 -59.77 -48.78 80.29 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -54.45 -27.63 38.68 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.237 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -77.08 -56.6 4.44 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.598 0.237 . . . . 0.0 111.183 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.99 -19.5 18.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.394 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.444 ' O ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -27.82 58.49 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.986 0.422 . . . . 0.0 110.393 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.46 -26.59 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.111 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 41' ' ' ILE . 19.8 mm . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.988 0.899 . . . . 0.0 111.716 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.04 171.44 10.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.132 0.491 . . . . 0.0 111.393 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 mt -150.16 -73.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.346 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.26 -53.57 27.43 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.253 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.783 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.4 ptm180 -62.23 -38.49 89.42 Favored 'General case' 0 C--O 1.227 -0.129 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.108 178.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -43.18 77.18 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.0 -45.55 80.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.833 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 16' ' ' ARG . 6.9 mt -60.28 -32.94 71.66 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.82 -26.27 44.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 178.382 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.66 62.58 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' HB2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -67.47 153.89 42.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.066 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.47 -60.38 0.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.441 0.163 . . . . 0.0 110.764 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -53.27 -52.07 60.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.952 178.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 2.2 pp0? -47.22 -34.04 6.04 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.887 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 43.7 tp -100.19 -43.14 6.41 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.529 -0.107 . . . . 0.0 111.041 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.61 22.12 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.657 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -83.01 -39.73 20.89 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.293 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.3 tp10 -69.54 -30.85 68.77 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.374 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 35' ' ' ARG . . . -58.59 -33.98 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.993 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 3.0 t60 -69.38 -21.38 63.79 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.862 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.4 ptmm? -100.8 -45.76 5.36 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -42.94 80.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 12.9 mmp_? -61.23 -26.51 67.79 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.246 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -73.86 -55.17 6.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.675 0.274 . . . . 0.0 110.562 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.5 -22.87 56.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.968 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -37.45 71.9 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -89.24 -35.5 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.488 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.231 0.539 . . . . 0.0 110.935 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -124.42 161.37 26.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.326 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 1.8 pp 173.06 147.37 0.05 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 14' ' ' LEU . 1.2 tt 68.27 -65.86 0.25 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.64 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 ptp180 -63.71 -37.56 87.82 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -67.57 -36.23 80.53 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.135 0.493 . . . . 0.0 110.234 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.24 -47.07 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.514 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.4 pp -66.54 -25.43 66.66 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.644 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -86.97 -26.11 23.98 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.78 68.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' GLU . 1.8 tpp85 -76.48 164.02 26.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.027 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.19 -61.17 0.29 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.935 -0.121 . . . . 0.0 110.873 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -54.95 -51.99 64.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.839 178.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.4 pp0? -50.67 -29.69 11.79 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.598 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 27.9 tp -96.73 -48.21 5.57 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.66 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.49 -36.46 33.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.73 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -82.93 -39.85 20.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.948 0.404 . . . . 0.0 110.512 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.887 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 tt0 -73.41 -31.08 63.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.812 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -62.53 -34.67 77.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.583 -0.698 . . . . 0.0 110.246 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.46 -22.36 62.69 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.887 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.71 -41.98 7.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.63 -49.42 75.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.408 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -50.4 -30.2 11.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -77.25 -56.61 4.41 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.914 0.387 . . . . 0.0 110.327 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD12 ' HD3' ' A' ' 33' ' ' LYS . 2.6 mt -59.2 -17.56 28.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.301 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -30.26 68.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.212 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mm -97.98 -31.53 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.413 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 120.824 0.345 . . . . 0.0 111.032 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.62 174.32 5.16 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.314 0.578 . . . . 0.0 111.26 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt 63.13 -65.75 0.1 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.417 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' HIS . 1.4 mp -52.52 -50.37 62.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 110.39 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 4.8 ptm180 -70.22 -39.34 75.17 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.056 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -64.2 -37.88 89.06 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.846 0.355 . . . . 0.0 111.206 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -44.18 60.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.782 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 2.0 pp -69.86 -24.71 63.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 178.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -84.68 -27.41 27.09 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.957 ' HA ' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.64 -32.81 66.16 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.61 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -75.11 160.05 30.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.96 -60.59 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.327 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -54.28 -49.19 70.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.978 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -48.9 -33.85 11.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.408 179.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 32.2 tp -98.03 -45.5 6.23 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.612 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.87 -38.72 23.31 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.673 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -80.89 -37.75 29.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.898 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -72.97 -37.91 66.88 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 179.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.78 76.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -56.45 -27.64 57.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.033 178.028 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -95.17 -49.15 5.63 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.27 -44.79 65.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.031 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -58.48 -26.12 63.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 51.8 mttm -83.04 -47.3 11.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.605 0.241 . . . . 0.0 111.424 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HD3' ' A' ' 33' ' ' LYS . 19.6 mt -43.93 -29.06 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.879 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.27 -33.07 72.67 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.126 0.488 . . . . 0.0 110.127 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mt -95.52 -33.38 4.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.953 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.089 0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.1 163.54 16.1 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.3 mt 66.5 -65.3 0.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.076 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.56 -55.89 2.21 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.4 ptp180 -61.75 -42.51 99.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.434 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -38.93 86.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 109.98 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.43 -47.51 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.236 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 16' ' ' ARG . 1.6 pp -67.94 -25.34 65.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.512 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.56 -27.0 29.6 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.429 ' HB2' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 26' ' ' GLN . . . -70.03 -37.53 75.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -61.15 152.28 28.98 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.134 177.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.5 -59.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.324 -0.15 . . . . 0.0 111.107 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -57.08 -66.97 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 179.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -42.71 -44.07 4.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.765 0.317 . . . . 0.0 110.705 179.043 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 tp -69.16 -56.98 6.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.36 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.692 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 37.9 mm-40 -76.12 -46.16 30.2 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.595 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.186 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 24.8 tp10 -73.0 -38.27 66.67 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.504 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.98 96.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.7 -25.6 60.55 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.959 177.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 1.186 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -93.51 -51.09 5.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.891 178.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 33' ' ' LYS . 5.1 t30 -52.12 -43.58 64.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.996 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -56.31 -28.64 59.52 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 11.4 mmtm -79.78 -55.92 4.65 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.641 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD12 ' HE2' ' A' ' 33' ' ' LYS . 48.2 mt -45.8 -26.75 0.71 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.601 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -36.98 75.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 109.594 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mt -86.25 -35.12 8.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.5 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 179.769 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 2.7 p80 -104.6 -179.86 4.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.427 0.632 . . . . 0.0 111.632 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 23.0 mt 72.77 -60.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.945 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 16' ' ' ARG . 1.3 pt? -48.59 -43.03 35.61 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 6.0 ptm180 -76.67 -40.73 48.04 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.447 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 mp0 -62.26 -37.8 86.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.43 -45.77 73.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.915 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.6 pp -68.11 -26.67 65.92 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.064 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' N ' HD12 ' A' ' 19' ' ' LEU . 3.1 mt-10 -80.28 -27.6 38.53 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.126 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 -40.17 57.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.287 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.6 tpp85 -63.61 154.49 32.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.49 -61.39 0.36 Allowed 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -54.79 -49.94 69.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.502 178.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.519 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.5 pp0? -48.08 -35.42 11.28 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.531 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 31' ' ' ALA . 44.3 tp -97.07 -44.39 7.0 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.935 -0.12 . . . . 0.0 110.878 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.08 16.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.697 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -82.99 -39.16 21.67 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.435 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.896 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp10 -71.12 -28.01 64.0 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -61.17 -39.05 88.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -61.56 -25.86 67.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.543 178.025 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.896 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 ptmm? -96.73 -46.74 6.16 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.65 -45.76 77.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 6.0 mmp_? -56.38 -26.92 54.62 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.148 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -78.92 -57.36 3.79 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.59 0.233 . . . . 0.0 110.858 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.04 -23.56 3.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.369 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.01 -26.71 60.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.483 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 mt -102.2 -27.74 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.613 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 1.3 p80 -68.84 177.73 2.45 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.433 0.635 . . . . 0.0 111.611 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 36.9 mt 71.43 -62.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.674 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -48.41 77.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.149 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.94 -38.02 85.39 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.763 178.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -67.25 -34.86 78.34 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -44.14 55.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 4.2 pp -67.2 -27.64 67.43 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.153 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.0 mm-40 -81.91 -27.21 33.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.713 177.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.472 ' HE3' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.9 73.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.102 177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.6 tpp85 -73.13 160.34 32.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.23 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.35 -60.7 0.25 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.454 0.168 . . . . 0.0 111.024 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.0 tt0 -54.97 -50.75 68.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.467 0.307 . . . . 0.0 110.886 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -54.03 -28.55 39.08 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.694 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 17.1 tp -97.99 -46.11 6.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 117.087 -0.051 . . . . 0.0 111.071 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.85 54.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.141 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -81.71 -35.53 29.67 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.757 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.047 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 7.3 tt0 -74.97 -36.35 62.05 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.496 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' ARG . . . -54.26 -43.59 71.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 1.3 t60 -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.723 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 1.047 ' HZ1' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.06 -43.6 6.29 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.924 179.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.611 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.5 -38.28 90.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 13.2 mmm-85 -60.98 -27.72 68.49 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 32' ' ' HIS . 22.9 mmtm -77.15 -52.46 9.23 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.1 0.476 . . . . 0.0 110.436 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.0 mt -50.21 -21.36 1.31 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.288 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.18 -32.8 73.3 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.034 0.445 . . . . 0.0 110.069 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 37' ' ' LEU . 1.8 mt -90.7 -34.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 37' ' ' LEU . 5.9 tt . . . . . 0 C--O 1.232 0.161 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 169.84 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.656 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 mt -149.08 -73.32 0.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.46 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.16 -54.87 14.4 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 1.069 ' HA ' HD12 ' A' ' 19' ' ' LEU . 14.5 ptm180 -64.32 -33.27 75.44 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.303 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.36 -40.85 98.39 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -42.09 81.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.069 HD12 ' HA ' ' A' ' 16' ' ' ARG . 10.5 mt -58.66 -34.9 71.76 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.295 177.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -27.6 55.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.909 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.22 70.28 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLU . 8.7 tpp180 -67.79 160.95 27.19 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.774 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 67.44 -61.83 0.34 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.581 0.229 . . . . 0.0 110.763 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ARG . 6.6 tt0 -55.16 -49.51 71.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.4 pp0? -57.86 -15.73 9.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.37 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 12.9 tp -114.45 -46.05 2.99 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 117.472 0.124 . . . . 0.0 111.212 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -38.31 46.18 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -81.52 -36.57 29.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.948 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 5.6 tm-20 -71.22 -36.79 71.98 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.12 78.23 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.166 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -70.32 -22.02 62.86 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.948 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -100.36 -37.77 8.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.606 0.241 . . . . 0.0 110.517 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' CA ' ' HZ1' ' A' ' 33' ' ' LYS . 5.2 t-20 -61.6 -47.83 83.69 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.441 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -53.34 -30.32 38.74 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mmtm -73.24 -53.46 10.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.59 -24.56 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.457 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.493 ' HE2' HD11 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.73 -28.89 50.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 110.03 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.5 mt -102.29 -27.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.158 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 41' ' ' ILE . 20.8 mm . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.926 0.869 . . . . 0.0 112.004 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 16' ' ' ARG . 1.4 p-80 -65.69 177.99 1.12 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.677 0.751 . . . . 0.0 111.756 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.2 mt 67.92 -69.16 0.15 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -47.38 77.98 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.65 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -64.13 -40.24 95.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.171 178.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.65 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -62.6 -37.89 88.01 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 t -68.16 -47.9 76.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.458 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.2 pp -70.21 -22.82 62.89 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.311 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.7 mt-10 -79.48 -31.2 42.33 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.52 58.29 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.15 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -89.77 150.12 22.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.043 179.063 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.13 -56.9 0.23 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -56.8 -64.34 0.91 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 122.979 0.174 . . . . 0.0 111.253 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.41 -57.8 1.7 Allowed 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 122.94 0.15 . . . . 0.0 111.326 179.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.2 -49.65 66.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.81 56.75 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.231 -0.587 . . . . 0.0 109.882 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -77.52 -42.97 33.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.9 ' CD ' ' NZ ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.99 -35.88 77.21 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.79 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.33 62.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -58.53 -27.64 64.72 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.385 177.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.9 ' NZ ' ' CD ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -98.55 -46.01 5.89 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.75 -44.89 70.36 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.921 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -57.88 -27.32 63.17 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.198 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -80.45 -46.58 15.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.368 . . . . 0.0 111.439 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt -46.26 -27.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.698 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -29.73 66.96 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 0.0 110.432 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.2 mt -99.93 -30.71 3.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.34 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.465 0.287 0 C-N-CA 122.675 0.39 . . . . 0.0 111.753 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 146.8 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.615 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.88 -58.62 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.353 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -48.13 -57.43 5.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -46.59 79.95 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -43.43 62.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 110.352 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -43.01 69.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.068 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.9 mt -62.43 -33.65 75.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.29 -26.54 47.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.803 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.41 ' HA ' ' HE2' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.453 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 3.6 tpp85 -66.57 157.39 32.45 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.297 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 66.21 -60.87 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.767 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -53.31 -50.21 65.42 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 1.6 pp0? -53.8 -22.78 10.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.841 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 19.2 tp -106.25 -45.78 4.22 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.457 -0.152 . . . . 0.0 110.867 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -37.71 34.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.71 0.29 . . . . 0.0 110.651 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -82.55 -39.58 22.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 109.979 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.908 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 1.2 tp10 -67.8 -36.73 80.94 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.124 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -57.18 -41.64 79.69 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -60.17 -26.55 66.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.897 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.908 ' HZ2' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.47 -53.63 4.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.38 -46.87 47.82 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.871 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -54.58 -28.58 47.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.999 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -80.97 -50.29 9.9 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.329 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 33' ' ' LYS . 83.9 mt -58.72 -19.61 41.58 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.959 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.535 ' HA ' HG22 ' A' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.8 -27.56 63.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.986 0.422 . . . . 0.0 110.427 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.98 -28.57 3.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.807 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 38' ' ' NLE . 9.7 tt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.806 0.336 . . . . 0.0 111.624 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -68.22 171.7 6.77 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.311 0.577 . . . . 0.0 111.422 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 8.3 mt 68.57 -61.95 0.39 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.385 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -47.22 47.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 111.216 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 2.6 ptp180 -60.07 -40.51 89.77 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.36 -37.72 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.137 0.494 . . . . 0.0 109.971 178.561 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.21 -47.44 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 4.6 pp -67.09 -25.3 66.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.0 mm-40 -84.56 -27.78 27.06 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.809 ' HE2' ' HA ' ' A' ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -28.8 61.12 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.417 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.79 155.37 38.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.542 178.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.69 -58.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -52.55 -52.14 56.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.175 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 27' ' ' LEU . 1.7 pp0? -53.39 -24.49 12.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 20.9 tp -100.14 -48.66 4.55 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.82 -36.92 39.87 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.8 0.333 . . . . 0.0 110.611 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -82.14 -40.25 22.09 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.043 0.449 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 1.156 ' CD ' ' HZ3' ' A' ' 33' ' ' LYS . 2.1 tt0 -71.78 -32.75 67.97 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.655 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.18 73.2 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.596 -0.69 . . . . 0.0 110.391 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 1.8 t60 -71.33 -22.42 61.92 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.516 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 1.156 ' HZ3' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -99.59 -41.57 7.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.815 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 38' ' ' NLE . 0.1 OUTLIER -60.56 -44.27 96.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.92 -31.62 50.85 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.49 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 32' ' ' HIS . 20.4 mmtm -72.73 -55.42 6.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.32 -23.47 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.922 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' NLE . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -37.8 67.57 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -87.25 -34.91 7.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.237 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.756 179.566 . . . . . . . . 0 0 . 1 stop_ save_