data_5u9q_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 5u9q _Structure_validation_residue.Date_analyzed 2017-12-08 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 ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -24.79 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.67 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.92 96.43 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -38.89 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.493 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -33.18 75.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.78 74.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.988 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -39.51 89.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.74 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.19 -50.88 72.32 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.75 -18.04 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.79 0.329 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -25.07 66.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -45.22 66.71 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.19 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.18 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.134 0.492 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.726 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -60.96 -35.76 77.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.753 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -59.77 -50.94 71.87 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.56 -21.17 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -25.76 40.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.6 -37.19 46.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -41.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -33.63 76.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.0 74.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.853 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 t -73.84 -47.85 35.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.965 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.36 -51.04 70.46 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.18 -12.24 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.715 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.559 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.881 0.372 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.92 57.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.0 98.71 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.63 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.766 0.317 . . . . 0.0 110.312 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -33.24 75.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.147 0.499 . . . . 0.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.9 74.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.836 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -64.18 -37.4 87.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.035 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.94 -51.0 71.92 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.93 -17.77 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.807 0.337 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.02 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.41 -31.34 61.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -71.0 -39.43 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -34.15 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.1 75.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.868 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.883 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -60.01 -50.93 71.79 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.98 -19.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.792 0.329 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.0 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . . . -72.81 -40.24 53.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -57.29 -49.47 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -33.96 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.74 74.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.347 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -67.23 -44.39 79.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.154 -178.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 8.8 pttp -78.39 -50.37 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.566 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 2.0 p -54.75 -19.27 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.592 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 ttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -25.22 64.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.53 -37.61 46.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.69 -44.59 77.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.87 -39.9 82.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.225 0.536 . . . . 0.0 110.66 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -32.94 74.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.863 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -73.3 -47.4 43.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.975 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -60.13 -50.98 71.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.96 -17.87 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.785 0.326 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.51 -25.08 64.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.66 53.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.411 ' O ' ' OG ' ' A' ' 19' ' ' SER . 45.4 t60 -62.29 -41.48 98.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -35.86 82.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.08 -32.63 74.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 16.3 p -59.89 -39.26 84.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.039 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -62.73 -51.22 68.0 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.637 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.29 -20.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.996 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.0 tpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.384 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.62 -25.42 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.38 -32.22 58.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.93 -51.41 26.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.772 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.06 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.56 74.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -65.1 -40.58 94.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.044 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -62.08 -51.03 69.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.527 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.96 -21.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.886 0.374 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.76 -24.95 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.57 -37.18 84.82 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.41 ' O ' ' OG ' ' A' ' 19' ' ' SER . 17.0 t60 -71.07 -46.04 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.4 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -32.37 74.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.9 74.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.897 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 28.0 p -65.0 -38.07 89.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.946 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -58.41 -50.81 72.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.97 -18.41 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.01 -38.98 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.78 0.324 . . . . 0.0 110.584 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.05 -40.92 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.89 -34.4 54.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mt -71.82 -55.87 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.12 -35.6 69.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.189 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -68.53 -27.23 65.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.643 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -86.28 -50.92 3.68 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.45 -40.0 61.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.55 16.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -66.39 -24.51 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.782 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' GLY . 39.2 t0 -56.76 -25.44 55.15 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -81.13 -47.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.686 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -24.79 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.67 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.92 96.43 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -38.89 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.493 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -33.18 75.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.78 74.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.988 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 0.4 OUTLIER -66.23 -39.51 89.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.74 -179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.19 -50.88 72.32 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.75 -18.04 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.6 ttt -102.27 -76.62 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.062 -1.648 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.32 -34.52 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.8 -29.38 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.6 -41.81 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.05 -43.84 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.81 -52.23 66.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -72.2 -25.25 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -3.49 89.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.15 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.309 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.81 32.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.688 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -66.22 -24.19 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.47 -25.5 51.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -80.12 -37.42 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.473 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -25.07 66.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -45.22 66.71 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.19 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.18 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.134 0.492 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.726 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 8.5 t -60.96 -35.76 77.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.753 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -59.77 -50.94 71.87 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.56 -21.17 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt -95.95 -76.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.39 -56.93 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -28.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -56.65 -42.08 78.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.8 mt -61.18 -50.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.01 -38.5 76.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.322 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -69.35 -32.74 72.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.29 3.63 86.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -22.22 49.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -67.42 -24.45 65.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.7 -25.48 54.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.5 -33.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -25.76 40.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.6 -37.19 46.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -41.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -33.63 76.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.0 74.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.853 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 9.7 t -73.84 -47.85 35.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.965 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.36 -51.04 70.46 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.18 -12.24 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.715 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 ttp -130.39 -85.3 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.559 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.15 -41.74 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.14 -32.01 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.57 -30.59 42.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.579 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.5 mt -60.76 -48.87 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.251 0.548 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.26 -40.41 90.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.174 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -69.71 -18.18 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.8 -55.81 5.73 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.36 -32.42 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.7 90.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.397 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -71.25 -24.64 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.58 -25.63 53.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -75.2 -56.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.92 57.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.0 98.71 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.63 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.766 0.317 . . . . 0.0 110.312 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -33.24 75.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.147 0.499 . . . . 0.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.9 74.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.836 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -64.18 -37.4 87.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.035 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.963 ' HA ' ' HN2' ' A' ' 23' ' ' NH2 . 12.9 tttt -58.94 -51.0 71.92 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.93 -17.77 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 ttt -93.23 -80.82 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.963 ' HN2' ' HA ' ' A' ' 20' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 t -51.11 -37.26 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.585 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.58 -42.17 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -54.97 -33.98 62.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' ALA . 16.4 mt -68.95 -53.43 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.246 0.546 . . . . 0.0 110.665 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.68 -40.77 76.12 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.28 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -69.71 -38.09 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -18.09 64.27 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -57.47 -39.23 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.64 84.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.484 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -70.07 -24.62 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -56.65 -25.58 53.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.53 -34.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.02 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.41 -31.34 61.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -71.0 -39.43 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -34.15 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.1 75.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.868 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 37.2 t -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.883 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -60.01 -50.93 71.79 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.98 -19.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 tpt -113.69 -74.13 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.944 -1.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.89 -31.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -61.77 -34.65 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.0 -45.75 86.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.581 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.74 -45.71 91.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.254 0.55 . . . . 0.0 110.561 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.58 -51.91 67.81 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.245 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -71.17 -28.54 64.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.62 -7.57 85.75 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.21 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.685 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.79 34.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -69.81 -24.46 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.688 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.71 -25.35 54.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.583 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.22 -53.89 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.0 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . . . -72.81 -40.24 53.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -57.29 -49.47 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -33.96 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.74 74.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.347 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -67.23 -44.39 79.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.154 -178.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 8.8 pttp -78.39 -50.37 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.566 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 2.0 p -54.75 -19.27 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.592 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 ttp -110.25 -46.2 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -55.88 -32.66 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.87 -34.92 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.24 -41.47 96.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -71.29 -45.45 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.175 0.512 . . . . 0.0 110.72 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.25 -41.4 72.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.413 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.46 97.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.281 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.59 -46.22 25.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.67 71.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 110.482 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -54.75 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -66.71 -24.45 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -56.83 -25.33 55.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.418 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.49 -52.49 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.626 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -25.22 64.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.53 -37.61 46.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.69 -44.59 77.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.87 -39.9 82.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.225 0.536 . . . . 0.0 110.66 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -32.94 74.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.863 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -73.3 -47.4 43.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.975 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -60.13 -50.98 71.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.96 -17.87 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ttt -97.88 -67.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.577 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.08 -30.53 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.99 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.39 -45.18 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.05 -42.94 73.33 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -69.6 -23.79 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.37 -20.55 60.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.63 -41.1 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.27 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.43 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.72 -24.41 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -56.64 -25.51 53.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -84.79 -53.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.51 -25.08 64.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.66 53.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.411 ' O ' ' OG ' ' A' ' 19' ' ' SER . 45.4 t60 -62.29 -41.48 98.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -35.86 82.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.08 -32.63 74.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 16.3 p -59.89 -39.26 84.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.039 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -62.73 -51.22 68.0 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.637 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.29 -20.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.996 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.0 tpp -82.94 -61.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.81 -45.72 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.52 -33.78 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.89 -45.55 82.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.0 mt -63.2 -47.46 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.266 0.555 . . . . 0.0 110.584 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.54 -30.22 69.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.27 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -69.54 -25.47 64.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.74 27.29 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.86 87.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.506 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -69.29 -24.56 63.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -56.73 -25.51 54.78 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -88.83 -31.63 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.483 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.62 -25.42 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.38 -32.22 58.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.93 -51.41 26.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.772 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.06 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.56 74.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -65.1 -40.58 94.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.044 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -62.08 -51.03 69.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.527 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.96 -21.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.7 tpt -89.5 -62.86 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.085 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.7 m -60.86 -30.26 46.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.587 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.02 -38.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.21 -41.6 65.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.62 -50.57 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 0.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.01 -44.26 78.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -65.02 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.48 -57.06 3.01 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -27.26 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.283 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -53.69 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -64.19 -24.95 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.96 -25.83 58.64 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -90.25 -49.19 13.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.558 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.76 -24.95 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.57 -37.18 84.82 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.41 ' O ' ' OG ' ' A' ' 19' ' ' SER . 17.0 t60 -71.07 -46.04 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.4 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -32.37 74.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.9 74.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.897 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 28.0 p -65.0 -38.07 89.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.946 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -58.41 -50.81 72.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.97 -18.41 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 tpt -92.5 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -24.79 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.67 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.92 96.43 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -38.89 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.493 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -33.18 75.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.78 74.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.988 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -39.51 89.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.74 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.19 -50.88 72.32 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.75 -18.04 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.79 0.329 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -25.07 66.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -45.22 66.71 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.19 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.18 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.134 0.492 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.726 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -60.96 -35.76 77.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.753 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -59.77 -50.94 71.87 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.56 -21.17 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -25.76 40.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.6 -37.19 46.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -41.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -64.38 -33.63 76.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.373 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.0 74.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.853 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 t -73.84 -47.85 35.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.965 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.36 -51.04 70.46 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 7.8 p -63.18 -12.24 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.715 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.559 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.881 0.372 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.92 57.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.0 98.71 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.63 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.766 0.317 . . . . 0.0 110.312 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -33.24 75.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.147 0.499 . . . . 0.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.9 74.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.836 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -64.18 -37.4 87.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.035 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.94 -51.0 71.92 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.93 -17.77 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.807 0.337 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.02 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.41 -31.34 61.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -71.0 -39.43 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -34.15 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.1 75.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.868 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.883 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -60.01 -50.93 71.79 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.98 -19.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.792 0.329 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.0 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . . . -72.81 -40.24 53.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -57.29 -49.47 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -33.96 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.74 74.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.347 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -67.23 -44.39 79.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.154 -178.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 8.8 pttp -78.39 -50.37 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.566 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 2.0 p -54.75 -19.27 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.592 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 ttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -25.22 64.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.53 -37.61 46.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.69 -44.59 77.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.6 mp -58.87 -39.9 82.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.225 0.536 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -32.94 74.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.863 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -73.3 -47.4 43.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.975 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -60.13 -50.98 71.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.96 -17.87 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.785 0.326 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.51 -25.08 64.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.66 53.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -62.29 -41.48 98.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.62 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -35.86 82.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.08 -32.63 74.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -59.89 -39.26 84.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.039 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -62.73 -51.22 68.0 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.637 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.29 -20.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.996 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.0 tpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.384 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -52.62 -25.42 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.38 -32.22 58.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.93 -51.41 26.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.772 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.06 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -32.56 74.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.881 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -65.1 -40.58 94.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.044 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -62.08 -51.03 69.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.527 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.96 -21.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 13' ' ' ILE . 9.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.886 0.374 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.76 -24.95 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.57 -37.18 84.82 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -71.07 -46.04 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.4 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -32.37 74.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.9 74.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.897 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 p -65.0 -38.07 89.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -58.41 -50.81 72.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.97 -18.41 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.01 -38.98 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.78 0.324 . . . . 0.0 110.584 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 4' ' ' ASP . 12.3 p -57.05 -40.92 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' N ' HG13 ' A' ' 3' ' ' VAL . 30.2 t70 -52.89 -34.4 54.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mt -71.82 -55.87 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.12 -35.6 69.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.189 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -68.53 -27.23 65.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.643 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -86.28 -50.92 3.68 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.45 -40.0 61.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.55 16.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -66.39 -24.51 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.782 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' GLY . 39.2 t0 -56.76 -25.44 55.15 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -81.13 -47.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.686 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -24.79 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.67 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.92 96.43 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -38.89 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.493 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -33.18 75.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.78 74.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.988 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 0.4 OUTLIER -66.23 -39.51 89.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.74 -179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.19 -50.88 72.32 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.75 -18.04 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.6 ttt -102.27 -76.62 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.062 -1.648 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.32 -34.52 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.8 -29.38 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.6 -41.81 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.05 -43.84 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.81 -52.23 66.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -72.2 -25.25 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -3.49 89.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.15 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.309 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.81 32.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.688 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -66.22 -24.19 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.47 -25.5 51.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -80.12 -37.42 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.473 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -25.07 66.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -45.22 66.71 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.19 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.18 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.134 0.492 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.726 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 8.5 t -60.96 -35.76 77.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.753 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -59.77 -50.94 71.87 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.56 -21.17 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt -95.95 -76.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.39 -56.93 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -28.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -56.65 -42.08 78.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.8 mt -61.18 -50.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.01 -38.5 76.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.322 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -69.35 -32.74 72.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.29 3.63 86.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -22.22 49.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -67.42 -24.45 65.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.7 -25.48 54.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.5 -33.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -25.76 40.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.6 -37.19 46.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -41.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -64.38 -33.63 76.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.373 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.0 74.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.853 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 9.7 t -73.84 -47.85 35.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.965 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.36 -51.04 70.46 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 7.8 p -63.18 -12.24 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.715 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 ttp -130.39 -85.3 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.559 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 3' ' ' VAL . 35.6 m -65.15 -41.74 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.479 ' N ' HG23 ' A' ' 2' ' ' VAL . 7.3 p -57.14 -32.01 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.57 -30.59 42.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.579 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.5 mt -60.76 -48.87 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.251 0.548 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.26 -40.41 90.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.174 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -69.71 -18.18 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.8 -55.81 5.73 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.36 -32.42 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.7 90.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.397 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -71.25 -24.64 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.58 -25.63 53.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -75.2 -56.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.92 57.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.0 98.71 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.63 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.766 0.317 . . . . 0.0 110.312 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -33.24 75.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.147 0.499 . . . . 0.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.9 74.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.836 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -64.18 -37.4 87.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.035 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.94 -51.0 71.92 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.93 -17.77 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 ttt -93.23 -80.82 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 t -51.11 -37.26 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.585 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 4' ' ' ASP . 10.7 p -55.58 -42.17 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' N ' HG13 ' A' ' 3' ' ' VAL . 22.3 t0 -54.97 -33.98 62.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' ALA . 16.4 mt -68.95 -53.43 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.246 0.546 . . . . 0.0 110.665 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.68 -40.77 76.12 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.28 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -69.71 -38.09 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -18.09 64.27 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -57.47 -39.23 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.64 84.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.484 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -70.07 -24.62 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -56.65 -25.58 53.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.53 -34.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.02 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.41 -31.34 61.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -71.0 -39.43 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -34.15 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.1 75.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.868 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 37.2 t -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.883 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -60.01 -50.93 71.79 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.98 -19.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 tpt -113.69 -74.13 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.944 -1.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.89 -31.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -61.77 -34.65 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.0 -45.75 86.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.581 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.74 -45.71 91.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.254 0.55 . . . . 0.0 110.561 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.58 -51.91 67.81 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.245 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -71.17 -28.54 64.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.62 -7.57 85.75 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.21 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.685 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.79 34.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -69.81 -24.46 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.688 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.71 -25.35 54.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.583 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.22 -53.89 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.0 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . . . -72.81 -40.24 53.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -57.29 -49.47 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -33.96 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.74 74.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.347 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -67.23 -44.39 79.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.154 -178.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 8.8 pttp -78.39 -50.37 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.566 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 2.0 p -54.75 -19.27 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.592 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 ttp -110.25 -46.2 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -55.88 -32.66 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.87 -34.92 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.24 -41.47 96.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -71.29 -45.45 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.175 0.512 . . . . 0.0 110.72 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.25 -41.4 72.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.413 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.46 97.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.281 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.59 -46.22 25.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.67 71.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 110.482 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -54.75 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -66.71 -24.45 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -56.83 -25.33 55.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.418 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.49 -52.49 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.626 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -25.22 64.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.53 -37.61 46.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.69 -44.59 77.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.6 mp -58.87 -39.9 82.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.225 0.536 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -32.94 74.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.863 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 4.3 t -73.3 -47.4 43.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.975 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -60.13 -50.98 71.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.96 -17.87 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ttt -97.88 -67.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.577 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.08 -30.53 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.99 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.39 -45.18 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.05 -42.94 73.33 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -69.6 -23.79 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.37 -20.55 60.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.63 -41.1 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.27 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.43 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.72 -24.41 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -56.64 -25.51 53.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -84.79 -53.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.51 -25.08 64.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.66 53.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -62.29 -41.48 98.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.62 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -35.86 82.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.08 -32.63 74.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -59.89 -39.26 84.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.039 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -62.73 -51.22 68.0 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.637 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.29 -20.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.996 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.0 tpp -82.94 -61.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.81 -45.72 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.52 -33.78 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.89 -45.55 82.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.0 mt -63.2 -47.46 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.266 0.555 . . . . 0.0 110.584 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.54 -30.22 69.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.27 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -69.54 -25.47 64.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.74 27.29 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.86 87.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.506 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -69.29 -24.56 63.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -56.73 -25.51 54.78 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -88.83 -31.63 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.483 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -52.62 -25.42 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.38 -32.22 58.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.93 -51.41 26.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.772 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.06 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -32.56 74.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.881 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 44.3 t -65.1 -40.58 94.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.044 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -62.08 -51.03 69.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.527 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.96 -21.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.7 tpt -89.5 -62.86 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.085 -1.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.7 m -60.86 -30.26 46.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.587 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 4' ' ' ASP . 13.8 p -52.02 -38.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 25.1 t70 -53.21 -41.6 65.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.62 -50.57 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 0.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.01 -44.26 78.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -65.02 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.48 -57.06 3.01 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -27.26 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.283 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -53.69 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -64.19 -24.95 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.96 -25.83 58.64 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 13' ' ' ILE . 9.3 mt -90.25 -49.19 13.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.558 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.76 -24.95 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.57 -37.18 84.82 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -71.07 -46.04 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.4 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -32.37 74.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.9 74.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.897 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 28.0 p -65.0 -38.07 89.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.946 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -58.41 -50.81 72.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.97 -18.41 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 tpt -92.5 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -24.79 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.67 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.92 96.43 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -38.89 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.493 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -33.18 75.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.78 74.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.988 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -39.51 89.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.74 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.19 -50.88 72.32 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.75 -18.04 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.79 0.329 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -25.07 66.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -45.22 66.71 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.19 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.18 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.134 0.492 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.726 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -60.96 -35.76 77.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.753 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -59.77 -50.94 71.87 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.56 -21.17 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -25.76 40.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.6 -37.19 46.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -41.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -64.38 -33.63 76.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.373 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.0 74.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.853 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.7 t -73.84 -47.85 35.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.965 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.36 -51.04 70.46 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 7.8 p -63.18 -12.24 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.715 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 ttp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.559 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.881 0.372 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.92 57.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.0 98.71 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.63 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.766 0.317 . . . . 0.0 110.312 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -33.24 75.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.147 0.499 . . . . 0.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.9 74.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.836 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -64.18 -37.4 87.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.035 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.94 -51.0 71.92 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.93 -17.77 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.807 0.337 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.02 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.41 -31.34 61.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -71.0 -39.43 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -34.15 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.1 75.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.868 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.883 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -60.01 -50.93 71.79 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.98 -19.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.792 0.329 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.0 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . . . -72.81 -40.24 53.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -57.29 -49.47 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -33.96 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.74 74.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.347 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -67.23 -44.39 79.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.154 -178.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 8.8 pttp -78.39 -50.37 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.566 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 2.0 p -54.75 -19.27 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.592 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 ttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -25.22 64.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.53 -37.61 46.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.69 -44.59 77.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.6 mp -58.87 -39.9 82.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.225 0.536 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -32.94 74.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.863 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -73.3 -47.4 43.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.975 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -60.13 -50.98 71.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.96 -17.87 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.785 0.326 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.51 -25.08 64.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.66 53.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -62.29 -41.48 98.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.62 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -35.86 82.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.08 -32.63 74.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -59.89 -39.26 84.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.039 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -62.73 -51.22 68.0 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.637 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.29 -20.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.996 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.0 tpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.384 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -52.62 -25.42 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.38 -32.22 58.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.93 -51.41 26.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.772 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.06 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -32.56 74.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.881 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -65.1 -40.58 94.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.044 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -62.08 -51.03 69.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.527 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.96 -21.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 13' ' ' ILE . 9.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.886 0.374 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.76 -24.95 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.57 -37.18 84.82 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -71.07 -46.04 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.4 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -32.37 74.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.9 74.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.897 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 p -65.0 -38.07 89.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.946 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -58.41 -50.81 72.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.97 -18.41 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.01 -38.98 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.78 0.324 . . . . 0.0 110.584 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 4' ' ' ASP . 12.3 p -57.05 -40.92 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' N ' HG13 ' A' ' 3' ' ' VAL . 30.2 t70 -52.89 -34.4 54.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mt -71.82 -55.87 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.12 -35.6 69.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.189 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -68.53 -27.23 65.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.643 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -86.28 -50.92 3.68 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.45 -40.0 61.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.55 16.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -66.39 -24.51 66.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.782 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' GLY . 39.2 t0 -56.76 -25.44 55.15 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -81.13 -47.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.686 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -24.79 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.67 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.92 96.43 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -38.89 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.493 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -33.18 75.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.78 74.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.988 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 0.4 OUTLIER -66.23 -39.51 89.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.74 -179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.19 -50.88 72.32 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.75 -18.04 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.6 ttt -102.27 -76.62 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.062 -1.648 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.32 -34.52 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.8 -29.38 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.599 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.6 -41.81 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.9 mt -65.05 -43.84 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.81 -52.23 66.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -72.2 -25.25 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.98 -3.49 89.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.15 65.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.309 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.81 32.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.688 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -66.22 -24.19 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.47 -25.5 51.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -80.12 -37.42 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.473 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -25.07 66.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.71 -45.22 66.71 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.19 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -31.18 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.134 0.492 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.726 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 8.5 t -60.96 -35.76 77.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.753 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -59.77 -50.94 71.87 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.56 -21.17 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt -95.95 -76.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.39 -56.93 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -28.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.715 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -56.65 -42.08 78.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.8 mt -61.18 -50.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.01 -38.5 76.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.322 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -69.35 -32.74 72.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.29 3.63 86.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -22.22 49.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -67.42 -24.45 65.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -56.7 -25.48 54.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.5 -33.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -25.76 40.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.6 -37.19 46.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -41.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -64.38 -33.63 76.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.373 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.0 74.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.853 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 9.7 t -73.84 -47.85 35.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.965 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.36 -51.04 70.46 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 7.8 p -63.18 -12.24 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.715 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 ttp -130.39 -85.3 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.559 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 3' ' ' VAL . 35.6 m -65.15 -41.74 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.479 ' N ' HG23 ' A' ' 2' ' ' VAL . 7.3 p -57.14 -32.01 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.57 -30.59 42.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.579 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.5 mt -60.76 -48.87 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.251 0.548 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.26 -40.41 90.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.174 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -69.71 -18.18 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.8 -55.81 5.73 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.36 -32.42 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.7 90.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.397 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -71.25 -24.64 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.58 -25.63 53.1 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.4 mt -75.2 -56.49 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.92 57.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.0 98.71 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.63 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.766 0.317 . . . . 0.0 110.312 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -33.24 75.56 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.147 0.499 . . . . 0.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.9 74.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.836 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -64.18 -37.4 87.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.035 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.94 -51.0 71.92 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.951 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.93 -17.77 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 ttt -93.23 -80.82 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 t -51.11 -37.26 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.585 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 4' ' ' ASP . 10.7 p -55.58 -42.17 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' N ' HG13 ' A' ' 3' ' ' VAL . 22.3 t0 -54.97 -33.98 62.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' ALA . 16.4 mt -68.95 -53.43 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.246 0.546 . . . . 0.0 110.665 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.68 -40.77 76.12 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.28 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -69.71 -38.09 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -18.09 64.27 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -57.47 -39.23 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.64 84.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.484 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -70.07 -24.62 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -56.65 -25.58 53.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.53 -34.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.02 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.41 -31.34 61.16 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -71.0 -39.43 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -34.15 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.1 75.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.868 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 37.2 t -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.883 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -60.01 -50.93 71.79 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.98 -19.43 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 tpt -113.69 -74.13 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.944 -1.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.89 -31.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -61.77 -34.65 63.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.0 -45.75 86.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.581 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.0 mt -65.74 -45.71 91.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.254 0.55 . . . . 0.0 110.561 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.58 -51.91 67.81 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.245 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -71.17 -28.54 64.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.62 -7.57 85.75 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.21 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.685 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.79 34.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -69.81 -24.46 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.688 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.71 -25.35 54.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.583 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.22 -53.89 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.0 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . . . -72.81 -40.24 53.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -57.29 -49.47 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.607 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -33.96 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.74 74.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.347 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -67.23 -44.39 79.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.154 -178.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 8.8 pttp -78.39 -50.37 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.566 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 2.0 p -54.75 -19.27 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.592 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 ttp -110.25 -46.2 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -55.88 -32.66 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.87 -34.92 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.24 -41.47 96.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -71.29 -45.45 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.175 0.512 . . . . 0.0 110.72 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.25 -41.4 72.1 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.413 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.46 97.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.281 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.59 -46.22 25.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.67 71.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 110.482 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -54.75 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -66.71 -24.45 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -56.83 -25.33 55.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.418 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.49 -52.49 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.626 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -25.22 64.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.53 -37.61 46.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.69 -44.59 77.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.6 mp -58.87 -39.9 82.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.225 0.536 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -32.94 74.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.863 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 4.3 t -73.3 -47.4 43.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.975 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -60.13 -50.98 71.56 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.96 -17.87 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ttt -97.88 -67.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.577 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.08 -30.53 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.99 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.39 -45.18 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.05 -42.94 73.33 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -69.6 -23.79 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.37 -20.55 60.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.63 -41.1 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.27 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.43 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.72 -24.41 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -56.64 -25.51 53.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -84.79 -53.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.51 -25.08 64.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.66 53.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -62.29 -41.48 98.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.62 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -35.86 82.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.191 0.52 . . . . 0.0 110.441 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.08 -32.63 74.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 p -59.89 -39.26 84.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.039 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -62.73 -51.22 68.0 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.637 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.29 -20.24 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.996 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.0 tpp -82.94 -61.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.81 -45.72 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.52 -33.78 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.89 -45.55 82.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.0 mt -63.2 -47.46 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.266 0.555 . . . . 0.0 110.584 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.54 -30.22 69.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.27 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -69.54 -25.47 64.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.74 27.29 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.86 87.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.506 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -69.29 -24.56 63.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -56.73 -25.51 54.78 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -88.83 -31.63 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.483 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -52.62 -25.42 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.38 -32.22 58.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.93 -51.41 26.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.772 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.32 -32.06 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -32.56 74.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.881 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 44.3 t -65.1 -40.58 94.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.044 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -62.08 -51.03 69.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.527 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.96 -21.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.7 tpt -89.5 -62.86 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.085 -1.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.7 m -60.86 -30.26 46.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.587 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 4' ' ' ASP . 13.8 p -52.02 -38.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 25.1 t70 -53.21 -41.6 65.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.62 -50.57 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 0.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.01 -44.26 78.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -65.02 -22.86 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.48 -57.06 3.01 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -27.26 68.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.283 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -53.69 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -64.19 -24.95 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.96 -25.83 58.64 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 13' ' ' ILE . 9.3 mt -90.25 -49.19 13.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.558 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.76 -24.95 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.57 -37.18 84.82 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -71.07 -46.04 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.4 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -32.37 74.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -32.9 74.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.897 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 28.0 p -65.0 -38.07 89.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.946 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -58.41 -50.81 72.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.97 -18.41 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 tpt -92.5 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_