data_1qwp_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 1qwp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.6 -15.51 18.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -106.18 -25.29 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 0.82 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' GLY . 0.5 OUTLIER -45.68 -26.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.98 -24.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' ILE . . . -64.19 -5.19 14.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.21 46.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.13 -14.59 25.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -108.13 -25.43 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -42.61 -28.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.88 -24.78 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -4.86 14.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 179.98 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.8 -17.27 14.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.4 -26.41 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.8 -24.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -23.78 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.55 -3.99 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.69 48.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.89 -17.22 14.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.66 -26.5 12.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.22 -25.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.56 -23.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.16 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp 179.42 48.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 9.0 mmtt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.94 87.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 -29.11 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.32 -25.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.4 -19.61 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -13.17 5.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.83 44.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 0.814 . . . . 0.0 109.241 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 12.3 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.87 -44.12 87.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.25 -29.09 28.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.34 -25.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.41 -19.62 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.7 -13.13 5.65 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.82 44.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.8 mmtm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.21 -43.6 89.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.7 -28.59 28.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.0 mm -46.79 -25.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -55.28 -18.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.26 -12.91 6.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.96 44.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.591 0.818 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.7 mmtm . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.91 -43.9 87.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.37 -28.95 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.5 -25.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.4 mt -54.93 -19.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.66 -12.57 6.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.03 44.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 7.9 mmtt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.83 87.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.48 -29.1 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.75 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.25 -25.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -54.4 -19.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.86 -13.02 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 tp -160.45 43.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 0.775 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.4 mmtt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.81 88.23 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.58 -28.66 28.39 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.69 -25.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -55.11 -19.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.29 -12.87 6.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.48 44.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.7 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.68 -44.31 86.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.03 -29.37 28.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.11 -25.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.19 -19.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.97 -12.93 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.97 44.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.3 mmtm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.32 91.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -84.15 -28.43 27.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.781 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.3 mm -46.38 -25.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.8 mt -54.41 -19.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.07 -14.34 4.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.46 44.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.4 mmtm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.07 87.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.2 -29.18 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.26 -25.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.47 -19.49 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.01 -12.99 6.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.41 44.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.3 -16.91 51.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.21 -27.63 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.75 -20.75 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.36 -20.3 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.32 -12.86 6.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 44.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 10.6 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.76 88.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.78 -28.73 27.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.8 mm -46.26 -25.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -54.25 -19.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.42 -14.08 4.49 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.44 44.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.6 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.98 88.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.43 -29.09 28.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.02 -25.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -53.77 -19.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.99 -14.4 4.15 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.34 44.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 3.1 mmtp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.81 87.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.51 -29.0 28.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.3 mm -46.34 -25.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.46 -19.54 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.78 -13.12 5.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.02 44.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.0 mmtt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.94 -43.82 87.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.49 -28.93 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.47 -25.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.62 -19.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.79 -13.12 5.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.92 44.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 14.9 mmtt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.77 -44.12 86.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.24 -29.2 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.23 -25.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.43 -19.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.77 -13.04 5.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 44.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 4.1 mmtp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.82 -44.02 87.09 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.36 -29.09 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.27 -25.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.37 -19.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.63 -13.22 5.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.04 44.17 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 0.824 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -89.01 39.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 p30 40.68 46.49 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -52.02 -40.05 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.6 -15.51 18.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -106.18 -25.29 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 0.82 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' GLY . 0.5 OUTLIER -45.68 -26.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.98 -24.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' ILE . . . -64.19 -5.19 14.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.21 46.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -81.77 101.25 10.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.05 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -72.73 -16.73 61.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -50.62 -40.39 52.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.13 -14.59 25.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -108.13 -25.43 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -42.61 -28.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.88 -24.78 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -4.86 14.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 179.98 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -74.48 -151.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.88 -15.66 33.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -52.28 -40.35 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.8 -17.27 14.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.4 -26.41 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.8 -24.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -23.78 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.55 -3.99 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.69 48.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -73.8 -151.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -57.84 -17.92 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -52.18 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.89 -17.22 14.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.66 -26.5 12.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.22 -25.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.56 -23.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.16 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp 179.42 48.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t -74.93 -151.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.928 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' ALA . 5.8 p-10 -108.95 -17.72 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 9.0 mmtt -41.38 -36.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.203 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.94 87.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.39 -29.11 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.32 -25.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.4 -19.61 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -13.17 5.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.83 44.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 0.814 . . . . 0.0 109.241 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 46.8 t -70.66 -6.56 37.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 10.3 t-20 51.89 55.18 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 12.3 mmtt -41.43 -36.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.87 -44.12 87.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.25 -29.09 28.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.34 -25.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.41 -19.62 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.7 -13.13 5.65 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.82 44.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -75.57 -151.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 0.732 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER 175.28 49.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.8 mmtm -41.53 -36.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.21 -43.6 89.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.7 -28.59 28.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.0 mm -46.79 -25.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -55.28 -18.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.26 -12.91 6.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.96 44.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.591 0.818 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -71.81 -150.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ALA . 28.9 p-10 -65.15 -16.89 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.7 mmtm -41.35 -36.37 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.91 -43.9 87.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.37 -28.95 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.5 -25.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.4 mt -54.93 -19.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.66 -12.57 6.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.03 44.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -74.39 -151.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 110.001 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 m-20 -70.36 -15.8 62.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 7.9 mmtt -41.49 -36.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.83 87.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.48 -29.1 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.75 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.25 -25.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -54.4 -19.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.86 -13.02 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 tp -160.45 43.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 0.775 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -71.71 -150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 109.95 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.7 m-80 -81.45 -1.4 45.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 1.191 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.4 mmtt -41.44 -36.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.81 88.23 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.58 -28.66 28.39 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.69 -25.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -55.11 -19.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.29 -12.87 6.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.48 44.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 15.0 t -73.06 -6.36 45.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.76 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.5 p30 156.15 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.354 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.7 mmtt -41.18 -36.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.68 -44.31 86.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.03 -29.37 28.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.11 -25.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.19 -19.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.97 -12.93 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.97 44.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -76.12 -151.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.1 m-20 -110.24 -17.57 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.3 mmtm -41.68 -36.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.32 91.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -84.15 -28.43 27.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.781 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.3 mm -46.38 -25.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.8 mt -54.41 -19.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.07 -14.34 4.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.46 44.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 23.1 t -75.91 -2.99 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 0.757 . . . . 0.0 110.071 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 156.05 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.4 mmtm -41.41 -36.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.07 87.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.2 -29.18 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.26 -25.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.47 -19.49 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.01 -12.99 6.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.41 44.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -75.61 -151.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -58.55 -17.54 22.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -49.52 -37.08 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.3 -16.91 51.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.21 -27.63 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.75 -20.75 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.36 -20.3 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.32 -12.86 6.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 44.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -76.46 -152.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 0.71 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -144.76 47.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 10.6 mmtm -41.52 -36.33 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.76 88.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.78 -28.73 27.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.8 mm -46.26 -25.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -54.25 -19.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.42 -14.08 4.49 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.44 44.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -75.27 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.935 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 m-20 -90.79 -17.79 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.6 mmtt -41.43 -36.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.98 88.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.43 -29.09 28.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.02 -25.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -53.77 -19.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.99 -14.4 4.15 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.34 44.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -88.99 40.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -56.07 -19.1 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 3.1 mmtp -41.44 -36.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.81 87.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.51 -29.0 28.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.3 mm -46.34 -25.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.46 -19.54 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.78 -13.12 5.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.02 44.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -88.88 40.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.045 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ALA . 61.0 m-20 57.28 38.62 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.0 mmtt -41.44 -36.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.94 -43.82 87.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.49 -28.93 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.47 -25.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.62 -19.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.79 -13.12 5.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.92 44.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -81.62 101.09 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.071 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 9.9 m-80 -116.02 60.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 14.9 mmtt -41.35 -36.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.77 -44.12 86.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.24 -29.2 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.23 -25.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.43 -19.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.77 -13.04 5.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 44.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.59 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 6.0 t-20 -118.43 47.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 4.1 mmtp -41.42 -36.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.82 -44.02 87.09 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.36 -29.09 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.27 -25.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.37 -19.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.63 -13.22 5.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.04 44.17 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 0.824 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.6 -15.51 18.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -106.18 -25.29 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 0.82 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -45.68 -26.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.98 -24.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' ILE . . . -64.19 -5.19 14.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.21 46.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.13 -14.59 25.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -108.13 -25.43 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -42.61 -28.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.88 -24.78 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -4.86 14.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 179.98 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.8 -17.27 14.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.4 -26.41 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.8 -24.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -23.78 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.55 -3.99 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.69 48.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.89 -17.22 14.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.66 -26.5 12.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.22 -25.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.56 -23.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.16 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp 179.42 48.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 9.0 mmtt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.94 87.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 -29.11 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.32 -25.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.4 -19.61 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -13.17 5.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.83 44.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 0.814 . . . . 0.0 109.241 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 12.3 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.87 -44.12 87.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.25 -29.09 28.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.34 -25.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.41 -19.62 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.7 -13.13 5.65 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.82 44.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.8 mmtm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.21 -43.6 89.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.7 -28.59 28.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.0 mm -46.79 -25.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -55.28 -18.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.26 -12.91 6.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.96 44.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.591 0.818 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.7 mmtm . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.91 -43.9 87.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.37 -28.95 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.5 -25.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.4 mt -54.93 -19.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.66 -12.57 6.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.03 44.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 7.9 mmtt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.83 87.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.48 -29.1 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.75 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.25 -25.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -54.4 -19.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.86 -13.02 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 tp -160.45 43.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 0.775 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.4 mmtt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.81 88.23 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.58 -28.66 28.39 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.69 -25.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -55.11 -19.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.29 -12.87 6.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.48 44.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.7 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.68 -44.31 86.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.03 -29.37 28.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.11 -25.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.19 -19.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.97 -12.93 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.97 44.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.3 mmtm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.32 91.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -84.15 -28.43 27.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.781 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.3 mm -46.38 -25.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.8 mt -54.41 -19.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.07 -14.34 4.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.46 44.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.4 mmtm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.07 87.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.2 -29.18 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.26 -25.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.47 -19.49 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.01 -12.99 6.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.41 44.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.3 -16.91 51.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.21 -27.63 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.75 -20.75 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.36 -20.3 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.32 -12.86 6.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 44.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 10.6 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.76 88.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.78 -28.73 27.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.8 mm -46.26 -25.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -54.25 -19.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.42 -14.08 4.49 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.44 44.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.6 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.98 88.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.43 -29.09 28.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.02 -25.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -53.77 -19.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.99 -14.4 4.15 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.34 44.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 3.1 mmtp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.81 87.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.51 -29.0 28.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.3 mm -46.34 -25.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.46 -19.54 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.78 -13.12 5.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.02 44.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.0 mmtt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.94 -43.82 87.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.49 -28.93 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.47 -25.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.62 -19.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.79 -13.12 5.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.92 44.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 14.9 mmtt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.77 -44.12 86.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.24 -29.2 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.23 -25.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.43 -19.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.77 -13.04 5.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 44.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 4.1 mmtp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.82 -44.02 87.09 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.36 -29.09 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.27 -25.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.37 -19.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.63 -13.22 5.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.04 44.17 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 0.824 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -89.01 39.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 p30 40.68 46.49 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -52.02 -40.05 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.6 -15.51 18.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -106.18 -25.29 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 0.82 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -45.68 -26.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.98 -24.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' ILE . . . -64.19 -5.19 14.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.21 46.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -81.77 101.25 10.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.05 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -72.73 -16.73 61.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -50.62 -40.39 52.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.13 -14.59 25.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -108.13 -25.43 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -42.61 -28.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.88 -24.78 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -4.86 14.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 179.98 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -74.48 -151.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' O ' HD13 ' A' ' 31' ' ' ILE . 1.8 m-20 -60.88 -15.66 33.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -52.28 -40.35 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.8 -17.27 14.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.4 -26.41 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.8 -24.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -23.78 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.55 -3.99 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.69 48.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -73.8 -151.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' ' 31' ' ' ILE . 1.5 m120 -57.84 -17.92 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -52.18 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.89 -17.22 14.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.66 -26.5 12.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.22 -25.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.56 -23.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.16 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp 179.42 48.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t -74.93 -151.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.928 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' ALA . 5.8 p-10 -108.95 -17.72 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 9.0 mmtt -41.38 -36.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.203 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.94 87.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.39 -29.11 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.32 -25.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.4 -19.61 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -13.17 5.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.83 44.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 0.814 . . . . 0.0 109.241 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.619 ' O ' HD11 ' A' ' 31' ' ' ILE . 46.8 t -70.66 -6.56 37.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 10.3 t-20 51.89 55.18 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 12.3 mmtt -41.43 -36.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.87 -44.12 87.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.25 -29.09 28.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.619 HD11 ' O ' ' A' ' 26' ' ' SER . 13.2 mm -46.34 -25.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.41 -19.62 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.7 -13.13 5.65 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.82 44.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -75.57 -151.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 0.732 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ALA . 4.5 t-20 175.28 49.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.8 mmtm -41.53 -36.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.21 -43.6 89.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.7 -28.59 28.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.0 mm -46.79 -25.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -55.28 -18.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.26 -12.91 6.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.96 44.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.591 0.818 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -71.81 -150.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.58 ' ND2' HD11 ' A' ' 31' ' ' ILE . 28.9 p-10 -65.15 -16.89 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.7 mmtm -41.35 -36.37 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.91 -43.9 87.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.37 -28.95 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD11 ' ND2' ' A' ' 27' ' ' ASN . 13.5 mm -46.5 -25.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.4 mt -54.93 -19.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.66 -12.57 6.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.03 44.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -74.39 -151.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 110.001 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 m-20 -70.36 -15.8 62.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 7.9 mmtt -41.49 -36.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.83 87.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.48 -29.1 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.75 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.25 -25.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -54.4 -19.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.86 -13.02 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 tp -160.45 43.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 0.775 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -71.71 -150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 109.95 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ALA . 6.6 m120 -81.45 -1.4 45.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 1.191 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.4 mmtt -41.44 -36.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.81 88.23 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.58 -28.66 28.39 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.69 -25.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -55.11 -19.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.29 -12.87 6.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.48 44.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 15.0 t -73.06 -6.36 45.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.76 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.5 p30 156.15 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.354 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.7 mmtt -41.18 -36.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.68 -44.31 86.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.03 -29.37 28.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.11 -25.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.19 -19.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.97 -12.93 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.97 44.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -76.12 -151.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.1 m-20 -110.24 -17.57 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.3 mmtm -41.68 -36.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.32 91.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -84.15 -28.43 27.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.781 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.3 mm -46.38 -25.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.8 mt -54.41 -19.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.07 -14.34 4.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.46 44.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 23.1 t -75.91 -2.99 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 0.757 . . . . 0.0 110.071 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 156.05 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.4 mmtm -41.41 -36.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.07 87.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.2 -29.18 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.26 -25.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.47 -19.49 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.01 -12.99 6.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.41 44.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -75.61 -151.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -58.55 -17.54 22.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -49.52 -37.08 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.3 -16.91 51.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.21 -27.63 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.75 -20.75 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.36 -20.3 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.32 -12.86 6.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 44.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -76.46 -152.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 0.71 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -144.76 47.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 10.6 mmtm -41.52 -36.33 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.76 88.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.78 -28.73 27.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.8 mm -46.26 -25.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -54.25 -19.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.42 -14.08 4.49 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.44 44.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -75.27 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.935 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 m-20 -90.79 -17.79 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.6 mmtt -41.43 -36.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.98 88.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.43 -29.09 28.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.02 -25.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -53.77 -19.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.99 -14.4 4.15 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.34 44.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -88.99 40.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -56.07 -19.1 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 3.1 mmtp -41.44 -36.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.81 87.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.51 -29.0 28.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.3 mm -46.34 -25.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.46 -19.54 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.78 -13.12 5.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.02 44.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -88.88 40.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.045 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ALA . 61.0 m-20 57.28 38.62 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.0 mmtt -41.44 -36.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.94 -43.82 87.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.49 -28.93 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.47 -25.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.62 -19.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.79 -13.12 5.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.92 44.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -81.62 101.09 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.071 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 9.9 m-80 -116.02 60.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 14.9 mmtt -41.35 -36.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.77 -44.12 86.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.24 -29.2 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.23 -25.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.43 -19.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.77 -13.04 5.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 44.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.59 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 6.0 t-20 -118.43 47.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 4.1 mmtp -41.42 -36.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.82 -44.02 87.09 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.36 -29.09 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.27 -25.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.37 -19.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.63 -13.22 5.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.04 44.17 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 0.824 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.6 -15.51 18.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -106.18 -25.29 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 0.82 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.499 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -45.68 -26.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.98 -24.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' ILE . . . -64.19 -5.19 14.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.21 46.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.13 -14.59 25.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -108.13 -25.43 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -42.61 -28.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.88 -24.78 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -4.86 14.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 179.98 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.8 -17.27 14.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.4 -26.41 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.8 -24.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -23.78 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.55 -3.99 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.69 48.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.89 -17.22 14.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.66 -26.5 12.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.22 -25.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.56 -23.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.16 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp 179.42 48.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 9.0 mmtt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.94 87.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 -29.11 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.32 -25.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.4 -19.61 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -13.17 5.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.83 44.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 0.814 . . . . 0.0 109.241 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 12.3 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.87 -44.12 87.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.25 -29.09 28.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.34 -25.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.41 -19.62 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.7 -13.13 5.65 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.82 44.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.8 mmtm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.21 -43.6 89.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.7 -28.59 28.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.0 mm -46.79 -25.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -55.28 -18.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.26 -12.91 6.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.96 44.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.591 0.818 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.7 mmtm . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.91 -43.9 87.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.37 -28.95 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.5 -25.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.4 mt -54.93 -19.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.66 -12.57 6.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.03 44.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 7.9 mmtt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.83 87.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.48 -29.1 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.75 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.25 -25.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -54.4 -19.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.86 -13.02 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 tp -160.45 43.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 0.775 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.4 mmtt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.81 88.23 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.58 -28.66 28.39 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.69 -25.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -55.11 -19.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.29 -12.87 6.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.48 44.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.7 mmtt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.68 -44.31 86.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.03 -29.37 28.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.11 -25.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.19 -19.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.97 -12.93 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.97 44.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.3 mmtm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.32 91.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -84.15 -28.43 27.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.781 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.3 mm -46.38 -25.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.8 mt -54.41 -19.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.07 -14.34 4.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.46 44.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.4 mmtm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.07 87.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.2 -29.18 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.26 -25.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.47 -19.49 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.01 -12.99 6.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.41 44.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.3 -16.91 51.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.21 -27.63 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.75 -20.75 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.36 -20.3 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.32 -12.86 6.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 44.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 10.6 mmtm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.76 88.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.78 -28.73 27.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.8 mm -46.26 -25.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -54.25 -19.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.42 -14.08 4.49 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.44 44.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.6 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.98 88.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.43 -29.09 28.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.02 -25.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -53.77 -19.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.99 -14.4 4.15 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.34 44.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 3.1 mmtp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.81 87.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.51 -29.0 28.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.3 mm -46.34 -25.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.46 -19.54 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.78 -13.12 5.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.02 44.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.0 mmtt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.94 -43.82 87.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.49 -28.93 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.47 -25.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.62 -19.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.79 -13.12 5.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.92 44.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 14.9 mmtt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.77 -44.12 86.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.24 -29.2 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.23 -25.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.43 -19.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.77 -13.04 5.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 44.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 4.1 mmtp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.82 -44.02 87.09 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -83.36 -29.09 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.27 -25.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.37 -19.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.63 -13.22 5.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.04 44.17 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 0.824 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -89.01 39.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 p30 40.68 46.49 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -52.02 -40.05 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.6 -15.51 18.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -106.18 -25.29 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 0.82 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -45.68 -26.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.98 -24.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' ILE . . . -64.19 -5.19 14.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.21 46.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -81.77 101.25 10.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.05 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -72.73 -16.73 61.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -50.62 -40.39 52.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.13 -14.59 25.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 32' ' ' ILE . . . -108.13 -25.43 11.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -42.61 -28.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' C ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -47.88 -24.78 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -4.86 14.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.418 1.074 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 179.98 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -74.48 -151.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' O ' HD13 ' A' ' 31' ' ' ILE . 1.8 m-20 -60.88 -15.66 33.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -52.28 -40.35 61.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.8 -17.27 14.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.158 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.4 -26.41 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.8 -24.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -23.78 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.55 -3.99 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.69 48.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -73.8 -151.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' ' 31' ' ' ILE . 1.5 m120 -57.84 -17.92 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -52.18 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.89 -17.22 14.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.66 -26.5 12.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -47.22 -25.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.56 -23.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.16 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp 179.42 48.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 t -74.93 -151.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.928 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' ALA . 5.8 p-10 -108.95 -17.72 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 9.0 mmtt -41.38 -36.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.624 1.203 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.94 87.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.39 -29.11 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.2 mm -46.32 -25.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.4 -19.61 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -13.17 5.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.83 44.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 0.814 . . . . 0.0 109.241 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.619 ' O ' HD11 ' A' ' 31' ' ' ILE . 46.8 t -70.66 -6.56 37.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.997 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 10.3 t-20 51.89 55.18 9.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 12.3 mmtt -41.43 -36.31 0.83 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.87 -44.12 87.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.25 -29.09 28.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.619 HD11 ' O ' ' A' ' 26' ' ' SER . 13.2 mm -46.34 -25.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.41 -19.62 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.7 -13.13 5.65 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.82 44.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -75.57 -151.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 0.732 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER 175.28 49.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.8 mmtm -41.53 -36.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.21 -43.6 89.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.7 -28.59 28.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.0 mm -46.79 -25.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -55.28 -18.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.26 -12.91 6.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.96 44.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.591 0.818 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -71.81 -150.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.58 ' ND2' HD11 ' A' ' 31' ' ' ILE . 28.9 p-10 -65.15 -16.89 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.7 mmtm -41.35 -36.37 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.91 -43.9 87.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.37 -28.95 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD11 ' ND2' ' A' ' 27' ' ' ASN . 13.5 mm -46.5 -25.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.4 mt -54.93 -19.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.66 -12.57 6.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.03 44.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -74.39 -151.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 110.001 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.8 m-20 -70.36 -15.8 62.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 7.9 mmtt -41.49 -36.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.83 87.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.48 -29.1 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.75 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.25 -25.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -54.4 -19.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.86 -13.02 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 tp -160.45 43.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 0.775 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -71.71 -150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 109.95 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ALA . 3.7 m-80 -81.45 -1.4 45.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 1.191 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.4 mmtt -41.44 -36.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.81 88.23 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.58 -28.66 28.39 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.69 -25.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.5 mt -55.11 -19.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.29 -12.87 6.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.48 44.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.343 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 15.0 t -73.06 -6.36 45.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.76 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' SER . 4.5 p30 156.15 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.354 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.7 mmtt -41.18 -36.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.68 -44.31 86.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.03 -29.37 28.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.11 -25.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.19 -19.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.97 -12.93 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.97 44.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -76.12 -151.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ALA . 2.1 m-20 -110.24 -17.57 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 11.3 mmtm -41.68 -36.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -43.32 91.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -84.15 -28.43 27.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.781 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.3 mm -46.38 -25.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.8 mt -54.41 -19.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.07 -14.34 4.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.46 44.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 23.1 t -75.91 -2.99 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 0.757 . . . . 0.0 110.071 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 156.05 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.4 mmtm -41.41 -36.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.83 -44.07 87.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.2 -29.18 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.26 -25.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -54.47 -19.49 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.01 -12.99 6.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.41 44.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -75.61 -151.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -58.55 -17.54 22.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -49.52 -37.08 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.3 -16.91 51.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.21 -27.63 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.75 -20.75 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.36 -20.3 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.32 -12.86 6.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 44.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -76.46 -152.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 0.71 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -144.76 47.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 10.6 mmtm -41.52 -36.33 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.76 88.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.78 -28.73 27.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 0.0 109.245 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 12.8 mm -46.26 -25.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -54.25 -19.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.42 -14.08 4.49 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.44 44.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -75.27 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.935 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ALA . 1.4 m-20 -90.79 -17.79 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 6.6 mmtt -41.43 -36.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.98 88.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.43 -29.09 28.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 0.808 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.02 -25.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.7 mt -53.77 -19.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.99 -14.4 4.15 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.34 44.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -88.99 40.39 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -56.07 -19.1 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 3.1 mmtp -41.44 -36.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.81 87.8 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.51 -29.0 28.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.3 mm -46.34 -25.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.46 -19.54 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.78 -13.12 5.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.02 44.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -88.88 40.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 110.045 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ALA . 61.0 m-20 57.28 38.62 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 8.0 mmtt -41.44 -36.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.94 -43.82 87.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.49 -28.93 28.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.1 mm -46.47 -25.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.62 -19.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.79 -13.12 5.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.92 44.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -81.62 101.09 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.071 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 9.9 m-80 -116.02 60.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 14.9 mmtt -41.35 -36.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.77 -44.12 86.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.24 -29.2 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.4 mm -46.23 -25.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.43 -19.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.77 -13.04 5.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 44.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.767 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.59 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ALA . 6.0 t-20 -118.43 47.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 4.1 mmtp -41.42 -36.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.82 -44.02 87.09 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -83.36 -29.09 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 28' ' ' LYS . 13.5 mm -46.27 -25.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 30' ' ' ALA . 2.6 mt -54.37 -19.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.63 -13.22 5.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.04 44.17 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 0.824 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 stop_ save_