data_2jqu_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 2jqu _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 ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -64.12 -47.13 81.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 0.0 109.948 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.01 -55.79 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.951 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 -37.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.36 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.58 4.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -47.37 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.17 -56.91 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.16 -65.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -140.57 -37.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.469 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.06 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.29 51.72 6.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -47.44 79.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 0.738 . . . . 0.0 109.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.63 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.07 -56.94 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.2 -65.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -140.6 -37.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.6 -46.1 64.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 50.52 7.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -47.43 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.18 -57.04 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.18 -65.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.59 -37.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.07 64.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 50.59 7.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -64.03 -47.38 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.635 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.5 mt -70.17 -56.97 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.17 -65.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 111.081 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -140.67 -36.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.98 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.99 -46.04 62.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.3 50.1 7.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -47.11 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.1 -56.07 7.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -140.86 -37.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.92 -45.97 66.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.45 6.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.409 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -64.16 -47.09 81.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.0 -56.12 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -140.78 -37.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.97 -45.94 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.944 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.42 56.52 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.29 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -69.97 -56.21 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.49 -65.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -140.81 -38.03 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 0.0 109.929 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -46.04 66.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.49 56.52 6.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -64.05 -47.3 80.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.632 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.04 -56.81 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.05 -65.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -140.64 -37.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.63 -45.9 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.42 50.51 9.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -64.0 -47.39 80.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.1 mt -70.06 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -140.89 -37.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.95 -45.98 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.47 56.5 6.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.42 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -47.27 80.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.23 -56.12 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 -37.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.87 -45.93 66.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.4 6.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -64.0 -47.3 80.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.6 mt -70.23 -56.77 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.08 -65.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 -37.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -45.87 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.88 49.83 9.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -47.25 38.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.0 mt -65.65 -56.19 13.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.48 -65.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -141.16 -37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -45.94 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 70.13 62.85 3.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -72.15 -47.12 53.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 110.074 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.601 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.0 mt -68.71 -56.11 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.19 -65.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -141.2 -37.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -45.86 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.81 63.2 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -64.13 -47.07 81.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.1 -55.82 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.22 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.38 5.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -47.12 81.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -70.02 -55.81 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -140.89 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.24 65.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.36 58.35 5.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.097 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.438 0.728 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -47.14 81.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.09 -55.76 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -37.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.07 -46.26 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.069 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.34 5.11 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.43 0.724 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -47.2 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.97 -55.9 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -140.93 -37.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.12 -46.26 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.34 58.5 5.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -64.02 -47.2 81.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.97 -55.83 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -140.91 -37.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.13 -46.22 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.31 5.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -64.12 -47.21 80.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.92 -55.84 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.88 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.29 65.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.52 5.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -64.08 -47.1 81.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.96 -55.84 8.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -140.85 -37.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.973 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.14 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 58.54 5.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -47.19 81.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.91 -55.91 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -140.88 -37.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.2 65.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.3 58.45 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -64.11 -47.16 81.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.98 -55.89 8.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.29 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -140.95 -37.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.914 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.5 5.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -64.15 -47.06 81.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.93 -55.91 8.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.4 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -37.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.18 -46.21 65.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.33 5.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.412 0.713 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -64.22 -47.08 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 0.768 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.2 65.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.414 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.49 5.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -47.09 81.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.616 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.03 -55.83 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.91 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.53 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.327 -0.395 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.424 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -47.2 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 0.72 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.79 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -140.91 -37.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.19 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.27 58.7 4.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -64.01 -47.14 81.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.0 -55.85 8.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -140.77 -37.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.27 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.052 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.31 58.44 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -64.07 -47.22 80.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.95 -55.83 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -140.89 -37.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.1 -46.23 65.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.37 5.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -47.24 80.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.33 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 179.966 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -140.91 -37.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.955 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.29 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.37 58.5 5.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 76.76 54.83 4.76 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -64.12 -47.13 81.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 0.0 109.948 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.01 -55.79 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.951 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 -37.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.36 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.58 4.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -67.9 97.93 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.15 86.37 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -47.37 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.17 -56.91 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.16 -65.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -140.57 -37.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.469 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.06 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.29 51.72 6.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.93 77.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.31 83.34 0.64 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -47.44 79.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 0.738 . . . . 0.0 109.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.07 -56.94 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.2 -65.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -140.6 -37.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.6 -46.1 64.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 50.52 7.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.18 80.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.18 45.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -47.43 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.18 -57.04 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.18 -65.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.59 -37.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.07 64.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 50.59 7.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.0 81.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.5 93.1 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -64.03 -47.38 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.5 mt -70.17 -56.97 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.17 -65.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 111.081 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -140.67 -36.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.98 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.99 -46.04 62.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.3 50.1 7.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -71.99 76.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -110.47 93.15 0.72 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -47.11 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.1 -56.07 7.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -140.86 -37.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.92 -45.97 66.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.45 6.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.9 149.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 99.29 56.0 1.01 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -64.16 -47.09 81.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.0 -56.12 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -140.78 -37.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.97 -45.94 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.944 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.42 56.52 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.81 89.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . -150.03 86.66 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.29 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -69.97 -56.21 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.49 -65.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -140.81 -38.03 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 0.0 109.929 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -46.04 66.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.49 56.52 6.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.86 96.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.1 60.53 8.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -64.05 -47.3 80.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.632 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.04 -56.81 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.05 -65.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -140.64 -37.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.63 -45.9 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.42 50.51 9.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -67.18 167.49 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 102.54 60.07 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -64.0 -47.39 80.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.1 mt -70.06 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -140.89 -37.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.95 -45.98 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.47 56.5 6.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.84 89.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 109.25 84.3 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -47.27 80.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.23 -56.12 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 -37.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.87 -45.93 66.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.4 6.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.87 123.77 21.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.42 98.79 1.75 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -64.0 -47.3 80.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.6 mt -70.23 -56.77 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.08 -65.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 -37.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.48 -45.87 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.88 49.83 9.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -67.4 -98.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . 0.417 ' N ' HD13 ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 70.58 57.74 6.38 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -47.25 38.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.604 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.0 mt -65.65 -56.19 13.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.48 -65.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -141.16 -37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -45.94 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 70.13 62.85 3.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.2 mm? -66.92 -84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.03 96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -72.15 -47.12 53.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 110.074 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.601 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.0 mt -68.71 -56.11 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.19 -65.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -141.2 -37.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -45.86 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.81 63.2 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.2 mm? -66.73 -86.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -150.12 90.19 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -64.13 -47.07 81.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.1 -55.82 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.22 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.38 5.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -67.79 160.48 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -95.95 90.83 1.25 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -47.12 81.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -70.02 -55.81 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -140.89 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.24 65.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.36 58.35 5.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.097 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -67.77 100.03 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 0.728 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 50.13 50.6 33.32 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -47.14 81.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.09 -55.76 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -37.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.07 -46.26 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.069 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.34 5.11 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -67.82 128.46 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 0.724 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.38 51.02 46.28 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -47.2 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.97 -55.9 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -140.93 -37.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.12 -46.26 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.34 58.5 5.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.96 171.91 6.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 60.0 54.58 36.3 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -64.02 -47.2 81.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.97 -55.83 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -140.91 -37.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.13 -46.22 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.31 5.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.7 90.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.21 51.68 36.8 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -64.12 -47.21 80.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.92 -55.84 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.88 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.29 65.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.52 5.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.96 153.14 44.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.69 52.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -64.08 -47.1 81.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.96 -55.84 8.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -140.85 -37.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.973 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.14 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 58.54 5.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.91 -97.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . 96.38 91.39 1.82 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -47.19 81.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.91 -55.91 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -140.88 -37.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.2 65.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.3 58.45 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.89 142.87 55.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -135.0 91.21 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -64.11 -47.16 81.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.98 -55.89 8.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.29 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -140.95 -37.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.914 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.5 5.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -67.93 103.18 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -149.84 90.25 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -64.15 -47.06 81.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.93 -55.91 8.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.4 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -37.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.18 -46.21 65.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.33 5.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.8 97.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 0.713 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . 94.49 91.23 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -64.22 -47.08 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 0.768 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.2 65.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.49 5.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.88 93.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 99.41 54.43 1.08 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -47.09 81.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.03 -55.83 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.91 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.53 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.97 168.78 11.15 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.424 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -138.51 90.82 0.2 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -47.2 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 0.72 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.79 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -140.91 -37.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.19 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.27 58.7 4.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -68.12 100.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 129.33 54.22 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -64.01 -47.14 81.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.0 -55.85 8.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -140.77 -37.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.27 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.052 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.31 58.44 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.85 -95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 88.55 55.01 2.26 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -64.07 -47.22 80.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.95 -55.83 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -140.89 -37.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.1 -46.23 65.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.37 5.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.7 mm? -67.86 105.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -133.33 91.98 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -47.24 80.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.33 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 179.966 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -140.91 -37.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.955 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.29 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.37 58.5 5.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 1.6 mm? -67.92 159.3 30.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -64.12 -47.13 81.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 0.0 109.948 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.01 -55.79 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.951 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 -37.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.36 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.58 4.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -47.37 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.17 -56.91 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.16 -65.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -140.57 -37.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.06 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.29 51.72 6.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -47.44 79.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 0.738 . . . . 0.0 109.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.4 mt -70.07 -56.94 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.2 -65.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -140.6 -37.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.6 -46.1 64.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 50.52 7.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -47.43 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.18 -57.04 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.18 -65.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.59 -37.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.66 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.07 64.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 50.59 7.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -64.03 -47.38 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.635 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.5 mt -70.17 -56.97 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.17 -65.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 111.081 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -140.67 -36.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.98 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.683 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.99 -46.04 62.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.3 50.1 7.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -47.11 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.1 -56.07 7.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -140.86 -37.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.92 -45.97 66.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.416 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.45 6.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.409 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -64.16 -47.09 81.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.0 -56.12 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -140.78 -37.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.97 -45.94 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.944 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.42 56.52 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.29 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -69.97 -56.21 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.49 -65.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -140.81 -38.03 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 0.0 109.929 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -46.04 66.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.49 56.52 6.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -64.05 -47.3 80.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.632 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.04 -56.81 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.05 -65.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -140.64 -37.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.63 -45.9 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.42 50.51 9.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -64.0 -47.39 80.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.1 mt -70.06 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -140.89 -37.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.95 -45.98 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.47 56.5 6.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -47.27 80.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.23 -56.12 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 -37.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.87 -45.93 66.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.4 6.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -64.0 -47.3 80.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.6 mt -70.23 -56.77 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.08 -65.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 -37.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.577 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.48 -45.87 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.88 49.83 9.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -47.25 38.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -65.65 -56.19 13.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.48 -65.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -141.16 -37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -45.94 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 70.13 62.85 3.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.689 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -72.15 -47.12 53.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 110.074 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.665 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -68.71 -56.11 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.19 -65.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -141.2 -37.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -45.86 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.81 63.2 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.665 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.428 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -64.13 -47.07 81.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.1 -55.82 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.22 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.38 5.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -47.12 81.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -70.02 -55.81 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -140.89 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.24 65.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.36 58.35 5.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.097 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.438 0.728 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -47.14 81.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.09 -55.76 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -37.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.76 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.07 -46.26 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.069 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.34 5.11 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.76 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.43 0.724 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -47.2 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.97 -55.9 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -140.93 -37.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.759 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.12 -46.26 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.34 58.5 5.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -64.02 -47.2 81.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.97 -55.83 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -140.91 -37.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.13 -46.22 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.31 5.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -64.12 -47.21 80.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.92 -55.84 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.88 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.29 65.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.52 5.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -64.08 -47.1 81.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.96 -55.84 8.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -140.85 -37.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.973 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.14 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 58.54 5.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.764 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -47.19 81.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.91 -55.91 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -140.88 -37.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.2 65.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.3 58.45 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -64.11 -47.16 81.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.98 -55.89 8.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.29 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -140.95 -37.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.914 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.5 5.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -64.15 -47.06 81.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.93 -55.91 8.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.4 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -37.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.18 -46.21 65.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.33 5.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.412 0.713 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -64.22 -47.08 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 0.768 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.2 65.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.49 5.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -47.09 81.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.616 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.03 -55.83 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.91 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.774 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.53 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.327 -0.395 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -47.2 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 0.72 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.79 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -140.91 -37.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.19 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.27 58.7 4.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -64.01 -47.14 81.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.0 -55.85 8.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -140.77 -37.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.769 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.27 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.052 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.31 58.44 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.769 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -64.07 -47.22 80.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.95 -55.83 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -140.89 -37.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.1 -46.23 65.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.37 5.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -47.24 80.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.33 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -140.91 -37.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.955 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.778 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.29 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.37 58.5 5.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 76.76 54.83 4.76 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -64.12 -47.13 81.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 0.0 109.948 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.01 -55.79 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.951 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 -37.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.36 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.58 4.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.9 97.93 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.15 86.37 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -47.37 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.17 -56.91 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.16 -65.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -140.57 -37.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.06 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.29 51.72 6.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.93 77.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.31 83.34 0.64 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -47.44 79.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 0.738 . . . . 0.0 109.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.4 mt -70.07 -56.94 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.2 -65.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -140.6 -37.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.6 -46.1 64.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 50.52 7.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.18 80.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.18 45.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -47.43 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.18 -57.04 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.18 -65.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.59 -37.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.66 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.07 64.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 50.59 7.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.0 81.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.5 93.1 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -64.03 -47.38 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.5 mt -70.17 -56.97 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.17 -65.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 111.081 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -140.67 -36.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.98 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.683 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.99 -46.04 62.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.3 50.1 7.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -71.99 76.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -110.47 93.15 0.72 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -47.11 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.1 -56.07 7.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -140.86 -37.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.92 -45.97 66.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.45 6.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.9 149.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 99.29 56.0 1.01 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -64.16 -47.09 81.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.0 -56.12 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -140.78 -37.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.97 -45.94 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.944 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.42 56.52 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.81 89.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . -150.03 86.66 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.29 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -69.97 -56.21 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.49 -65.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -140.81 -38.03 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 0.0 109.929 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -46.04 66.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.49 56.52 6.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.86 96.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.1 60.53 8.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -64.05 -47.3 80.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.632 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.04 -56.81 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.05 -65.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -140.64 -37.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.63 -45.9 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.42 50.51 9.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.18 167.49 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 102.54 60.07 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -64.0 -47.39 80.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.1 mt -70.06 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -140.89 -37.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.95 -45.98 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.47 56.5 6.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.84 89.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 109.25 84.3 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -47.27 80.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.23 -56.12 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 -37.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.87 -45.93 66.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.4 6.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.87 123.77 21.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.42 98.79 1.75 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -64.0 -47.3 80.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.6 mt -70.23 -56.77 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.08 -65.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 -37.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.577 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.48 -45.87 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.88 49.83 9.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.4 -98.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . 0.549 ' N ' HD11 ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 70.58 57.74 6.38 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -47.25 38.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -65.65 -56.19 13.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.48 -65.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -141.16 -37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -45.94 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 70.13 62.85 3.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.689 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? -66.92 -84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.03 96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -72.15 -47.12 53.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 110.074 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.665 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -68.71 -56.11 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.19 -65.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -141.2 -37.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -45.86 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.81 63.2 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.665 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? -66.73 -86.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.428 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -150.12 90.19 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -64.13 -47.07 81.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.1 -55.82 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.22 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.38 5.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.79 160.48 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -95.95 90.83 1.25 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -47.12 81.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -70.02 -55.81 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -140.89 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.24 65.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.36 58.35 5.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.097 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.77 100.03 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 0.728 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 50.13 50.6 33.32 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -47.14 81.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.09 -55.76 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -37.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.76 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.07 -46.26 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.069 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.34 5.11 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.76 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.82 128.46 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 0.724 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.38 51.02 46.28 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -47.2 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.97 -55.9 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -140.93 -37.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.759 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.12 -46.26 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.34 58.5 5.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.96 171.91 6.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 60.0 54.58 36.3 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -64.02 -47.2 81.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.97 -55.83 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -140.91 -37.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.13 -46.22 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.31 5.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.7 90.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.21 51.68 36.8 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -64.12 -47.21 80.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.92 -55.84 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.88 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.29 65.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.52 5.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.96 153.14 44.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.69 52.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -64.08 -47.1 81.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.96 -55.84 8.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -140.85 -37.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.973 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.14 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 58.54 5.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.764 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.91 -97.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . 96.38 91.39 1.82 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -47.19 81.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.91 -55.91 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -140.88 -37.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.2 65.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.3 58.45 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.89 142.87 55.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -135.0 91.21 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -64.11 -47.16 81.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.98 -55.89 8.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.29 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -140.95 -37.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.914 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.5 5.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.93 103.18 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -149.84 90.25 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -64.15 -47.06 81.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.93 -55.91 8.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.4 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -37.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.18 -46.21 65.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.33 5.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.8 97.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 0.713 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . 94.49 91.23 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -64.22 -47.08 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 0.768 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.2 65.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.49 5.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.88 93.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 99.41 54.43 1.08 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -47.09 81.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.03 -55.83 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.91 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.774 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.53 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.97 168.78 11.15 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -138.51 90.82 0.2 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -47.2 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 0.72 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.79 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -140.91 -37.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.19 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.27 58.7 4.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -68.12 100.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 129.33 54.22 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -64.01 -47.14 81.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.0 -55.85 8.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -140.77 -37.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.769 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.27 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.052 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.31 58.44 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.769 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.85 -95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 88.55 55.01 2.26 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -64.07 -47.22 80.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.95 -55.83 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -140.89 -37.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.1 -46.23 65.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.37 5.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.86 105.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -133.33 91.98 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -47.24 80.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.33 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -140.91 -37.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.955 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.778 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.29 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.37 58.5 5.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.92 159.3 30.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -64.12 -47.13 81.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 0.0 109.948 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.01 -55.79 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.951 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 -37.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.36 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.58 4.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -47.37 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.17 -56.91 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.16 -65.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -140.57 -37.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.06 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.29 51.72 6.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -47.44 79.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 0.738 . . . . 0.0 109.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.4 mt -70.07 -56.94 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.2 -65.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -140.6 -37.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.6 -46.1 64.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 50.52 7.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -47.43 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.18 -57.04 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.18 -65.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.59 -37.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.66 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.07 64.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 50.59 7.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -64.03 -47.38 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.635 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.5 mt -70.17 -56.97 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.17 -65.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 111.081 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -140.67 -36.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.98 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.683 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.99 -46.04 62.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.3 50.1 7.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -47.11 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.1 -56.07 7.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -140.86 -37.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.92 -45.97 66.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.416 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.45 6.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.409 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -64.16 -47.09 81.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.0 -56.12 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -140.78 -37.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.97 -45.94 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.944 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.42 56.52 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.29 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -69.97 -56.21 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.49 -65.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -140.81 -38.03 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 0.0 109.929 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -46.04 66.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.49 56.52 6.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -64.05 -47.3 80.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.632 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.04 -56.81 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.05 -65.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -140.64 -37.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.63 -45.9 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.42 50.51 9.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -64.0 -47.39 80.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.1 mt -70.06 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -140.89 -37.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.95 -45.98 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.47 56.5 6.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -47.27 80.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.23 -56.12 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 -37.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.87 -45.93 66.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.4 6.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -64.0 -47.3 80.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.6 mt -70.23 -56.77 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.08 -65.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 -37.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.577 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.48 -45.87 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.88 49.83 9.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -47.25 38.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -65.65 -56.19 13.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.48 -65.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -141.16 -37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -45.94 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 70.13 62.85 3.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.689 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -72.15 -47.12 53.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 110.074 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.665 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -68.71 -56.11 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.19 -65.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -141.2 -37.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -45.86 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.81 63.2 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.665 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.428 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -64.13 -47.07 81.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.1 -55.82 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.22 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.38 5.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -47.12 81.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -70.02 -55.81 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -140.89 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.24 65.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.36 58.35 5.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.097 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.438 0.728 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -47.14 81.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.09 -55.76 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -37.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.76 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.07 -46.26 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.069 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.34 5.11 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.76 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.43 0.724 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -47.2 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.97 -55.9 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -140.93 -37.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.759 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.12 -46.26 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.34 58.5 5.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -64.02 -47.2 81.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.97 -55.83 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -140.91 -37.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.13 -46.22 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.31 5.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -64.12 -47.21 80.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.611 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.92 -55.84 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.88 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.29 65.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.52 5.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -64.08 -47.1 81.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.96 -55.84 8.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -140.85 -37.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.973 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.14 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 58.54 5.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.764 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -47.19 81.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.91 -55.91 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -140.88 -37.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.2 65.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.3 58.45 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -64.11 -47.16 81.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.98 -55.89 8.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.29 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -140.95 -37.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.914 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.5 5.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -64.15 -47.06 81.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.93 -55.91 8.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.4 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -37.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.18 -46.21 65.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.33 5.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.412 0.713 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -64.22 -47.08 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 0.768 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.2 65.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.49 5.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -47.09 81.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.616 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.03 -55.83 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.91 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.774 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.53 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.327 -0.395 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -47.2 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 0.72 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.79 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -140.91 -37.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.19 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.27 58.7 4.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -64.01 -47.14 81.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.0 -55.85 8.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -140.77 -37.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.769 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.27 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.052 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.31 58.44 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.769 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -64.07 -47.22 80.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.95 -55.83 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -140.89 -37.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.1 -46.23 65.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.37 5.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -47.24 80.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.33 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -140.91 -37.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.955 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.778 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.29 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.37 58.5 5.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 76.76 54.83 4.76 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -64.12 -47.13 81.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 0.0 109.948 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.01 -55.79 8.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.951 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 -37.69 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.36 64.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.58 4.98 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.9 97.93 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.15 86.37 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -47.37 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.17 -56.91 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.16 -65.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -140.57 -37.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.06 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.29 51.72 6.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.93 77.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.31 83.34 0.64 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -47.44 79.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 0.738 . . . . 0.0 109.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.4 mt -70.07 -56.94 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.2 -65.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -140.6 -37.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.6 -46.1 64.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 50.52 7.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.18 80.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.18 45.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -47.43 80.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.18 -57.04 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.18 -65.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.59 -37.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.66 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.5 -46.07 64.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 50.59 7.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -73.0 81.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.5 93.1 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -64.03 -47.38 80.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.5 mt -70.17 -56.97 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.17 -65.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 111.081 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -140.67 -36.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.98 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.683 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.99 -46.04 62.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.3 50.1 7.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -71.99 76.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -110.47 93.15 0.72 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.13 -47.11 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.1 -56.07 7.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -140.86 -37.94 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.92 -45.97 66.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.082 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.45 6.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.9 149.97 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 99.29 56.0 1.01 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -64.16 -47.09 81.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.0 -56.12 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -140.78 -37.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.97 -45.94 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.944 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.42 56.52 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.81 89.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . -150.03 86.66 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.29 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.621 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -69.97 -56.21 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.49 -65.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -140.81 -38.03 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.147 . . . . 0.0 109.929 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -46.04 66.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.49 56.52 6.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.86 96.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.36 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.1 60.53 8.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -64.05 -47.3 80.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.007 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.632 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.4 mt -70.04 -56.81 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.05 -65.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -140.64 -37.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.63 -45.9 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.42 50.51 9.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.18 167.49 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 102.54 60.07 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -64.0 -47.39 80.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.1 mt -70.06 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.56 -65.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -140.89 -37.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.95 -45.98 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.47 56.5 6.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.84 89.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 109.25 84.3 1.57 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -47.27 80.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.0 mt -70.23 -56.12 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.6 -65.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.87 -37.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -69.87 -45.93 66.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.48 56.4 6.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.87 123.77 21.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.42 98.79 1.75 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -64.0 -47.3 80.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 5.6 mt -70.23 -56.77 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.656 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -148.08 -65.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 -37.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.577 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -70.48 -45.87 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.88 49.83 9.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD22 ' HB2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.4 -98.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . 0.549 ' N ' HD11 ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 70.58 57.74 6.38 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -47.25 38.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.689 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -65.65 -56.19 13.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.48 -65.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -141.16 -37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -45.94 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 70.13 62.85 3.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.689 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? -66.92 -84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.03 96.27 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -72.15 -47.12 53.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 110.074 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.665 HD12 ' H ' ' A' ' 9' ' ' LEU . 4.0 mt -68.71 -56.11 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.19 -65.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -141.2 -37.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -45.86 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.81 63.2 3.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.665 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mm? -66.73 -86.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.428 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -150.12 90.19 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -64.13 -47.07 81.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 110.024 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.1 -55.82 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.22 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.38 5.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.79 160.48 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -95.95 90.83 1.25 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -47.12 81.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -70.02 -55.81 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -140.89 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.16 -46.24 65.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.36 58.35 5.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.097 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.77 100.03 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 0.728 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 50.13 50.6 33.32 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -47.14 81.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.09 -55.76 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -37.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.76 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.07 -46.26 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.069 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.34 5.11 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.76 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.82 128.46 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 0.724 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.38 51.02 46.28 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -47.2 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.97 -55.9 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.32 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -140.93 -37.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.936 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.759 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.12 -46.26 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.34 58.5 5.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.96 171.91 6.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 0.74 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 60.0 54.58 36.3 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -64.02 -47.2 81.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.97 -55.83 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -140.91 -37.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.13 -46.22 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.31 5.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.7 90.99 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.21 51.68 36.8 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -64.12 -47.21 80.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.611 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.92 -55.84 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.88 -37.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.29 65.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.33 58.52 5.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.96 153.14 44.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.388 1.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.69 52.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -64.08 -47.1 81.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.96 -55.84 8.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -140.85 -37.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.973 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.14 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.25 58.54 5.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.061 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.764 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.91 -97.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . 96.38 91.39 1.82 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -47.19 81.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.91 -55.91 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.31 -65.43 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -140.88 -37.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.11 -46.2 65.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.3 58.45 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.89 142.87 55.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -135.0 91.21 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -64.11 -47.16 81.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.98 -55.89 8.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.29 -65.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -140.95 -37.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.914 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.5 5.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.93 103.18 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -149.84 90.25 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -64.15 -47.06 81.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.75 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -69.93 -55.91 8.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.4 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -37.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.18 -46.21 65.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.38 58.33 5.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.8 97.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 0.713 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . 94.49 91.23 1.67 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -64.22 -47.08 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 0.768 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.9 -37.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.2 65.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.29 58.49 5.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.88 93.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 99.41 54.43 1.08 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -47.09 81.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.03 -55.83 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.36 -65.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -140.91 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.774 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.29 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.28 58.53 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.97 168.78 11.15 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -138.51 90.82 0.2 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -47.2 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 0.72 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.79 8.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.42 -65.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -140.91 -37.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.19 -46.19 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.27 58.7 4.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -68.12 100.9 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 129.33 54.22 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -64.01 -47.14 81.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.0 -55.85 8.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.35 -65.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -140.77 -37.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.769 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.04 -46.27 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.052 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.31 58.44 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.769 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.85 -95.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 8' ' ' GLY . . . 88.55 55.01 2.26 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -64.07 -47.22 80.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.8 mt -69.95 -55.83 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.37 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -140.89 -37.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.776 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.1 -46.23 65.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.34 58.37 5.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.7 mm? -67.86 105.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' HA2' ' CA ' ' A' ' 8' ' ' GLY . . . -133.33 91.98 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -47.24 80.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' CB ' ' CE1' ' A' ' 5' ' ' TYR . 4.7 mt -70.02 -55.82 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -147.33 -65.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 111.033 179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -140.91 -37.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.955 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.778 ' HB2' HD22 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.15 -46.29 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' CA ' ' HA2' ' A' ' 2' ' ' GLY . . . 72.37 58.5 5.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 7' ' ' PHE . 1.6 mm? -67.92 159.3 30.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_