data_1p82_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 1p82 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.75 -42.01 85.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.441 1.759 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -43.38 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.38 -35.45 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.79 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -23.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.14 -35.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.066 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.8 -33.85 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.74 -57.55 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.58 -35.37 63.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.86 85.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -86.1 -53.79 4.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -16.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.92 -43.23 88.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 39.9 tt0 -77.85 -71.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.0 ttmt -60.75 -41.95 85.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.99 -37.83 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.44 -43.2 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.51 -35.35 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.78 -56.85 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.57 -23.25 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.614 1.196 . . . . 0.0 109.245 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.86 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.79 -57.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.227 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.5 tm0? -54.67 -35.36 63.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.13 -53.8 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -16.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -43.47 88.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 34.2 tt0 -77.46 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 18.6 ttpt -60.66 -42.01 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -75.0 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -43.26 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.57 -35.24 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 34.1 t70 -56.97 -56.71 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.58 -23.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.99 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.83 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.77 -57.38 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.59 -35.35 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.98 85.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.09 -53.74 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.44 1.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -66.01 -43.43 87.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 32.8 tt0 -77.84 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 24.7 ttmt -60.72 -42.05 85.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.94 -37.7 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -43.32 73.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.49 -35.37 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.81 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -23.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.19 -35.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.93 -33.81 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.71 -57.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.4 tm0? -54.49 -35.49 63.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.79 85.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -86.21 -53.78 4.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -16.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.96 -43.59 87.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.71 -70.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 26.4 ttpt -60.67 -41.99 85.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.474 1.776 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -43.33 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.54 -35.33 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -56.77 -56.79 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -23.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -35.05 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.81 -33.91 62.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' CG2' ' OD1' ' A' ' 10' ' ' ASP . 90.1 t -63.76 -57.42 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -54.51 -35.44 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.84 86.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -86.13 -53.8 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -16.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.39 87.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 22.1 tt0 -77.65 -70.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.665 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.7 ttpt -59.97 -42.2 89.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.41 2.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -43.32 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.59 -35.43 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 33.5 t70 -56.77 -56.79 17.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -23.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.88 -33.93 62.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.8 -57.35 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.32 63.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.9 85.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -53.76 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.84 -43.53 88.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 27.7 tt0 -77.84 -70.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.3 ttpt -60.68 -42.03 85.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.01 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.73 -43.42 72.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.47 -35.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 24.7 t70 -56.86 -56.75 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.55 -23.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -34.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.87 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.79 -57.46 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 tt0 -54.53 -35.29 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.94 86.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -86.08 -53.82 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.55 87.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.0 tt0 -77.6 -70.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.6 ttpt -60.68 -42.02 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.96 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.6 -43.36 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.58 -35.22 19.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 33.4 t70 -56.89 -56.78 17.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.53 -23.23 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.3 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.9 -33.82 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.81 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.43 63.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.193 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.95 85.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -53.78 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.45 88.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.88 -70.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 8.7 ttpt -60.7 -41.99 85.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -74.97 -37.72 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.814 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.48 -43.4 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.45 -35.32 19.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 23.4 t70 -56.81 -56.79 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.61 -23.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.86 -33.88 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.77 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.58 -35.35 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.08 -53.85 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.88 -43.47 88.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 31.5 tt0 -77.87 -71.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 110.39 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 20.8 ttmt -60.68 -42.0 85.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.15 -37.59 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -43.25 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.42 -34.68 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -57.14 -57.98 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.07 -23.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.44 -36.11 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.42 -30.42 57.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.56 -53.41 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -55.45 -34.75 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.79 87.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -53.84 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -16.42 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.97 -43.49 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.0 tt0 -77.88 -71.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.1 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.412 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.0 ttpt -61.3 -41.21 78.74 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.98 -39.92 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -68.06 -42.08 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.31 -35.28 17.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 110.264 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.74 -56.96 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.48 -23.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.97 -33.79 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.78 -57.46 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.48 -35.39 63.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.88 86.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.15 -53.75 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -16.44 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.53 87.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.1 tt0 -77.83 -70.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.363 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 21.0 ttpt -60.75 -41.97 85.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.5 -35.33 19.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 32.3 t70 -56.79 -56.79 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.54 -23.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.31 -34.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.8 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.83 -57.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -54.6 -35.34 63.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.99 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -86.02 -53.84 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -16.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.47 88.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.78 -70.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttmt -60.66 -41.99 85.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -37.78 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.414 1.744 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.24 -34.74 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' VAL . 29.7 t70 -57.2 -57.98 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -23.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.46 -36.09 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.43 -30.42 57.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.52 -53.46 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.565 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -55.32 -34.7 64.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.75 87.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -86.17 -53.83 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -16.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.181 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.5 87.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.9 tt0 -77.97 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 28.4 ttmt -60.71 -41.98 85.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.07 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.561 1.822 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.27 73.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.53 -35.2 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.82 -56.86 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.57 -23.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.26 -35.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.87 -33.89 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.76 -57.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.63 -35.36 63.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.81 86.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.22 -53.79 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -16.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -42.98 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.07 -69.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.421 HG13 ' CB ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.677 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 ttmt -60.7 -41.91 85.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.95 -39.15 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.421 ' CB ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.45 -42.84 78.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.15 -34.71 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 110.217 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' VAL . 12.4 t70 -57.06 -58.13 9.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.49 -36.13 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.33 -30.58 57.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.46 -53.42 45.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.566 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -55.36 -34.75 64.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.77 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.2 -53.72 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -16.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.93 -43.46 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.5 tt0 -77.73 -70.94 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttpt -60.7 -42.03 85.67 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -43.33 73.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.6 -35.3 20.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 23.9 t70 -56.79 -56.8 16.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.6 -23.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.33 -35.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.91 -33.87 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.71 -57.5 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.7 tt0 -54.51 -35.34 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.93 85.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -86.06 -53.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -16.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.42 88.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.72 -70.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 15.9 ttpt -60.7 -41.97 85.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -75.03 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.45 -43.35 73.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.383 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.73 -35.58 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 28.9 t70 -56.96 -56.11 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.44 -34.99 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.69 -33.87 62.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ASP . 90.9 t -63.81 -57.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.47 -35.36 62.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.98 86.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -86.09 -53.76 4.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.52 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 28.5 tt0 -77.88 -71.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 8' ' ' LEU . 6.0 tt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.1 ttpp -60.77 -41.78 84.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.02 -39.14 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.41 -42.94 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.16 -34.64 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 14' ' ' VAL . 20.2 t70 -57.08 -58.08 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -23.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.46 -30.43 57.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.49 -53.5 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.566 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 1.6 tp60 -55.31 -34.78 64.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.88 87.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -86.16 -53.81 4.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.94 -43.47 87.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 20.6 tt0 -77.7 -70.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.61 -42.11 86.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.6 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -43.35 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.238 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.28 -34.72 10.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -57.16 -58.06 9.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -23.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.19 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.37 -30.51 57.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.47 -53.46 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -55.27 -34.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.81 87.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -86.27 -53.73 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -16.57 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.29 88.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -77.48 -70.75 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.6 ttmt -60.67 -42.01 85.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.03 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -43.38 73.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.78 -35.51 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -56.98 -56.11 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.236 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.39 -35.15 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.64 -33.92 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ASP . 92.2 t -63.81 -57.31 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.8 tp60 -54.68 -35.41 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.82 85.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.19 -53.84 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -16.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.86 -43.1 89.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.23 -70.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -147.11 -167.15 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 76.33 22.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -103.62 71.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.43 -4.72 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.75 -42.01 85.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.441 1.759 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -43.38 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.38 -35.45 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.79 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.53 -23.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.14 -35.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.066 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.8 -33.85 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.74 -57.55 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.58 -35.37 63.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.86 85.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -86.1 -53.79 4.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -16.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.92 -43.23 88.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 39.9 tt0 -77.85 -71.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.24 149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -60.89 144.6 52.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' SER . 77.0 p -39.84 160.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 82.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' THR . 8.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -141.36 -166.49 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 t 76.32 24.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -103.82 71.96 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -118.86 -7.6 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.391 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.0 ttmt -60.75 -41.95 85.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.99 -37.83 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.44 -43.2 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.51 -35.35 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.78 -56.85 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.57 -23.25 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.614 1.196 . . . . 0.0 109.245 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.86 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.79 -57.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.227 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.5 tm0? -54.67 -35.36 63.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.13 -53.8 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -16.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -43.47 88.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 34.2 tt0 -77.46 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.23 130.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -46.94 161.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' SER . 12.3 t -38.47 157.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.86 83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' C ' ' CG2' ' A' ' 3' ' ' VAL . 11.1 mttp -146.75 -166.95 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' CG2' ' C ' ' A' ' 2' ' ' LYS . 2.4 t 76.25 23.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -103.7 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -121.41 -5.1 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 18.6 ttpt -60.66 -42.01 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -75.0 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -43.26 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.57 -35.24 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 34.1 t70 -56.97 -56.71 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.58 -23.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.99 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.83 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.77 -57.38 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.59 -35.35 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.98 85.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.09 -53.74 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.44 1.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -66.01 -43.43 87.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 32.8 tt0 -77.84 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.24 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 110.405 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -40.45 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.8 t -179.44 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 110.447 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.02 -55.97 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.158 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' HB3' ' CD ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' CD ' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -140.03 -166.48 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t 76.28 22.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 43.9 t30 -103.62 72.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -121.27 -5.15 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 24.7 ttmt -60.72 -42.05 85.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.94 -37.7 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -43.32 73.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.49 -35.37 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.81 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -23.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.19 -35.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.93 -33.81 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.71 -57.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.4 tm0? -54.49 -35.49 63.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.79 85.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -86.21 -53.78 4.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -16.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.96 -43.59 87.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.71 -70.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.31 149.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 t -52.08 -178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -175.48 34.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.29 -41.1 4.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' O ' ' CE ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 1' ' ' ALA . 15.9 mmtt -142.07 -166.56 2.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t 76.36 23.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -103.71 72.13 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -120.72 -5.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 26.4 ttpt -60.67 -41.99 85.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.474 1.776 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -43.33 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.54 -35.33 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -56.77 -56.79 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -23.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -35.05 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.81 -33.91 62.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' CG2' ' OD1' ' A' ' 10' ' ' ASP . 90.1 t -63.76 -57.42 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -54.51 -35.44 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.84 86.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -86.13 -53.8 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -16.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.39 87.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 22.1 tt0 -77.65 -70.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.6 t -98.7 132.66 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -67.88 64.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -64.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -140.92 -166.65 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t 76.26 23.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.66 72.1 1.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.65 -1.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.665 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.7 ttpt -59.97 -42.2 89.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.41 2.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -43.32 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.59 -35.43 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 33.5 t70 -56.77 -56.79 17.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -23.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.88 -33.93 62.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.8 -57.35 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.32 63.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.9 85.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -53.76 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.84 -43.53 88.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 27.7 tt0 -77.84 -70.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.26 153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.41 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -45.1 107.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.381 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -67.01 67.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.18 -67.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' O ' ' CE ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.524 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 4.0 mmtp -142.06 -166.11 2.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.7 23.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 15.7 t-20 -103.7 72.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -122.79 -3.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.3 ttpt -60.68 -42.03 85.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.01 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.73 -43.42 72.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.47 -35.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 24.7 t70 -56.86 -56.75 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.55 -23.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -34.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.87 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.79 -57.46 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 tt0 -54.53 -35.29 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.94 86.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -86.08 -53.82 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.55 87.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.0 tt0 -77.6 -70.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.3 106.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -84.35 50.56 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p 39.01 33.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.35 -68.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.173 . . . . 0.0 110.022 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.524 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 21.3 mtmt -140.41 -166.13 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.72 22.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 11.7 t-20 -103.7 71.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -122.17 -4.08 8.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.6 ttpt -60.68 -42.02 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.96 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.6 -43.36 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.58 -35.22 19.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 33.4 t70 -56.89 -56.78 17.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.53 -23.23 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.3 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.9 -33.82 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.81 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.43 63.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.193 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.95 85.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -53.78 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.45 88.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.88 -70.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.4 153.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -70.47 60.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p 38.78 -157.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.5 64.84 4.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -138.8 -161.04 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 2' ' ' LYS . 5.9 m 51.42 23.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -103.66 72.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.5 -5.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 8.7 ttpt -60.7 -41.99 85.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -74.97 -37.72 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.814 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.48 -43.4 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.45 -35.32 19.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 23.4 t70 -56.81 -56.79 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.61 -23.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.86 -33.88 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.77 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.58 -35.35 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.08 -53.85 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.88 -43.47 88.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 31.5 tt0 -77.87 -71.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.26 153.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.8 t -44.53 118.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 p -67.19 66.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -70.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -146.02 -167.09 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.042 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 t 76.24 22.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -103.72 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.33 -6.07 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 20.8 ttmt -60.68 -42.0 85.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.15 -37.59 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -43.25 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.42 -34.68 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -57.14 -57.98 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.07 -23.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.44 -36.11 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.42 -30.42 57.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.56 -53.41 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -55.45 -34.75 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.79 87.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -53.84 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -16.42 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.97 -43.49 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.0 tt0 -77.88 -71.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.27 153.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.1 . . . . 0.0 110.509 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.8 t -50.17 111.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 67.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.13 -67.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.025 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HB3' ' CE ' ' A' ' 6' ' ' LYS . 4.3 mttm -150.18 -167.51 2.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 2' ' ' LYS . 2.3 t 76.21 23.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.492 ' C ' ' N ' ' A' ' 6' ' ' LYS . 32.2 t30 -103.71 72.85 1.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.412 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 49.98 15.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.0 ttpt -61.3 -41.21 78.74 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.98 -39.92 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -68.06 -42.08 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.31 -35.28 17.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 110.264 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.74 -56.96 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.48 -23.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.97 -33.79 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.78 -57.46 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.48 -35.39 63.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.88 86.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.15 -53.75 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -16.44 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.53 87.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.1 tt0 -77.83 -70.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.35 146.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.363 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.2 t -93.04 153.77 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' SER . 6.1 t -38.37 156.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.6 78.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' THR . 47.3 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 11.5 mtpt -150.09 -167.17 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 2' ' ' LYS . 12.0 t 75.09 23.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.447 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 5.1 t-20 -103.71 72.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.32 -5.04 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 21.0 ttpt -60.75 -41.97 85.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.5 -35.33 19.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 32.3 t70 -56.79 -56.79 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.54 -23.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.31 -34.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.8 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.83 -57.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -54.6 -35.34 63.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.99 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -86.02 -53.84 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -16.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.47 88.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.78 -70.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.36 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -63.69 112.65 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -67.01 67.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.05 -69.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 3.2 mptt -136.84 -165.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' CG1' ' C ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.75 22.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -103.7 72.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.351 1.032 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.1 -6.38 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttmt -60.66 -41.99 85.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -37.78 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.414 1.744 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.24 -34.74 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' VAL . 29.7 t70 -57.2 -57.98 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -23.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.46 -36.09 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.43 -30.42 57.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.52 -53.46 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.565 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -55.32 -34.7 64.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.75 87.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -86.17 -53.83 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -16.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.181 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.5 87.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.9 tt0 -77.97 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.35 153.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -49.12 116.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -67.11 67.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.07 -66.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.044 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 1.2 mttt -132.93 -163.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.518 ' CG1' ' C ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 68.74 20.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.485 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 4.7 t-20 -103.57 71.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -120.45 -6.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 28.4 ttmt -60.71 -41.98 85.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.07 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.561 1.822 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.27 73.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.53 -35.2 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.82 -56.86 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.57 -23.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.26 -35.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.87 -33.89 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.76 -57.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.63 -35.36 63.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.81 86.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.22 -53.79 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HE2' ' H ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -53.5 -16.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -42.98 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.07 -69.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -169.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 11.7 t -40.19 145.09 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' SER . 11.8 t -38.95 158.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 80.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.6 ' H ' ' HE2' ' A' ' 18' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.945 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.76 -165.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.0 t 76.17 22.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' C ' ' N ' ' A' ' 6' ' ' LYS . 59.4 t30 -103.6 72.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HG13 ' CB ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 48.88 18.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.677 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 ttmt -60.7 -41.91 85.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.95 -39.15 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' CB ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.45 -42.84 78.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.15 -34.71 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 110.217 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' VAL . 12.4 t70 -57.06 -58.13 9.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.49 -36.13 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.33 -30.58 57.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.46 -53.42 45.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.566 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -55.36 -34.75 64.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.77 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.2 -53.72 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -16.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.93 -43.46 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.5 tt0 -77.73 -70.94 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.36 139.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -126.37 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p 39.61 33.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.35 -50.2 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.958 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.526 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -141.68 -166.29 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.526 ' CG1' ' C ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.7 23.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 4.4 t-20 -103.71 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.3 -5.06 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttpt -60.7 -42.03 85.67 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -43.33 73.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.6 -35.3 20.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 23.9 t70 -56.79 -56.8 16.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.6 -23.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.33 -35.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.91 -33.87 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.71 -57.5 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.7 tt0 -54.51 -35.34 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.93 85.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -86.06 -53.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -16.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.42 88.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.72 -70.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 143.03 6.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -38.73 119.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 p -67.18 66.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.14 -67.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 2.7 mtpt -148.17 -166.9 2.66 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.76 23.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -103.68 72.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -120.51 -5.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 15.9 ttpt -60.7 -41.97 85.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -75.03 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.45 -43.35 73.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.383 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.73 -35.58 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 28.9 t70 -56.96 -56.11 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.44 -34.99 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.69 -33.87 62.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ASP . 90.9 t -63.81 -57.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.47 -35.36 62.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.98 86.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -86.09 -53.76 4.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.52 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 28.5 tt0 -77.88 -71.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.21 152.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -43.4 111.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -67.01 67.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.15 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.931 ' N ' ' HZ1' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.931 ' HZ1' ' N ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -139.51 -166.2 2.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' CG2' ' C ' ' A' ' 2' ' ' LYS . 2.3 t 76.32 22.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' C ' ' N ' ' A' ' 6' ' ' LYS . 14.6 t-20 -103.52 72.97 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 8' ' ' LEU . 6.0 tt 48.97 18.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.1 ttpp -60.77 -41.78 84.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.02 -39.14 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.41 -42.94 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.16 -34.64 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 14' ' ' VAL . 20.2 t70 -57.08 -58.08 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -23.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.46 -30.43 57.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.49 -53.5 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.566 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 1.6 tp60 -55.31 -34.78 64.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.88 87.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -86.16 -53.81 4.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.94 -43.47 87.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 20.6 tt0 -77.7 -70.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.32 106.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 10.1 t -128.02 138.64 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 23' ' ' THR . 13.2 t -68.41 62.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.07 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -139.84 -166.38 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t 76.2 23.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -103.75 72.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -119.97 -6.41 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.61 -42.11 86.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.6 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -43.35 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.238 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.28 -34.72 10.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -57.16 -58.06 9.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -23.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.19 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.37 -30.51 57.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.47 -53.46 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -55.27 -34.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.81 87.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -86.27 -53.73 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -53.5 -16.57 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.29 88.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -77.48 -70.75 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.46 177.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -77.06 148.87 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' SER . 6.3 t -38.34 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' OE1' ' A' ' 18' ' ' GLU . . . -62.7 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 5.9 mttt -150.14 -167.47 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.0 t 76.33 23.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -103.71 71.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -120.35 -5.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.6 ttmt -60.67 -42.01 85.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.03 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -43.38 73.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.78 -35.51 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -56.98 -56.11 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.236 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.39 -35.15 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.64 -33.92 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 10' ' ' ASP . 92.2 t -63.81 -57.31 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.8 tp60 -54.68 -35.41 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.82 85.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.19 -53.84 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -16.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -65.86 -43.1 89.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.23 -70.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.96 173.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -82.61 111.6 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 23' ' ' THR . 15.0 t -67.03 67.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -68.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.75 -42.01 85.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.441 1.759 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.65 -43.38 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.38 -35.45 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.79 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -47.53 -23.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.14 -35.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.066 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.8 -33.85 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.0 t -63.74 -57.55 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.58 -35.37 63.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.86 85.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -86.1 -53.79 4.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -16.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.92 -43.23 88.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 39.9 tt0 -77.85 -71.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.0 ttmt -60.75 -41.95 85.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.99 -37.83 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.44 -43.2 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.51 -35.35 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.78 -56.85 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.57 -23.25 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.614 1.196 . . . . 0.0 109.245 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.86 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.6 t -63.79 -57.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.5 tm0? -54.67 -35.36 63.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.13 -53.8 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -16.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -43.47 88.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 34.2 tt0 -77.46 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 18.6 ttpt -60.66 -42.01 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -75.0 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -43.26 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.57 -35.24 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 34.1 t70 -56.97 -56.71 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.58 -23.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.99 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.83 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.6 t -63.77 -57.38 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.769 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.59 -35.35 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.98 85.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.09 -53.74 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.44 1.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -66.01 -43.43 87.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 32.8 tt0 -77.84 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 24.7 ttmt -60.72 -42.05 85.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.94 -37.7 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -43.32 73.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.49 -35.37 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.81 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.63 -23.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.19 -35.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.93 -33.81 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.4 tm0? -54.49 -35.49 63.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.79 85.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -86.21 -53.78 4.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -16.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.96 -43.59 87.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.71 -70.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 26.4 ttpt -60.67 -41.99 85.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.474 1.776 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -43.33 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.54 -35.33 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -56.77 -56.79 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.51 -23.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -35.05 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.81 -33.91 62.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.1 t -63.76 -57.42 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -54.51 -35.44 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.84 86.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -86.13 -53.8 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -16.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.39 87.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 22.1 tt0 -77.65 -70.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.665 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.7 ttpt -59.97 -42.2 89.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.41 2.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -43.32 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.59 -35.43 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.5 t70 -56.77 -56.79 17.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.65 -23.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.88 -33.93 62.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.3 t -63.8 -57.35 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.32 63.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.9 85.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -53.76 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.84 -43.53 88.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 27.7 tt0 -77.84 -70.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.3 ttpt -60.68 -42.03 85.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.01 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.73 -43.42 72.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.47 -35.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 24.7 t70 -56.86 -56.75 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.55 -23.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -34.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.87 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.2 t -63.79 -57.46 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tt0 -54.53 -35.29 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.94 86.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -86.08 -53.82 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.55 87.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.0 tt0 -77.6 -70.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.6 ttpt -60.68 -42.02 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.96 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.6 -43.36 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.58 -35.22 19.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.4 t70 -56.89 -56.78 17.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.53 -23.23 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.3 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.9 -33.82 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 87.7 t -63.81 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.43 63.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.193 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.95 85.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -53.78 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.45 88.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.88 -70.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 8.7 ttpt -60.7 -41.99 85.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -74.97 -37.72 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.814 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.48 -43.4 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.45 -35.32 19.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.4 t70 -56.81 -56.79 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.61 -23.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.86 -33.88 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.2 t -63.77 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.58 -35.35 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.08 -53.85 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.88 -43.47 88.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 31.5 tt0 -77.87 -71.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 110.39 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 20.8 ttmt -60.68 -42.0 85.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.15 -37.59 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -43.25 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.42 -34.68 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -57.14 -57.98 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.07 -23.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.44 -36.11 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.42 -30.42 57.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.56 -53.41 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -55.45 -34.75 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.79 87.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -53.84 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -16.42 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.97 -43.49 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.0 tt0 -77.88 -71.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.1 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.412 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.0 ttpt -61.3 -41.21 78.74 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.98 -39.92 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -68.06 -42.08 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.31 -35.28 17.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 110.264 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.964 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.74 -56.96 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.48 -23.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.97 -33.79 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.7 t -63.78 -57.46 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.48 -35.39 63.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.88 86.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.15 -53.75 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -16.44 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.53 87.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.1 tt0 -77.83 -70.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.363 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 21.0 ttpt -60.75 -41.97 85.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.5 -35.33 19.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 32.3 t70 -56.79 -56.79 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.54 -23.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.31 -34.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.8 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.4 t -63.83 -57.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -54.6 -35.34 63.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.99 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -86.02 -53.84 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -16.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.47 88.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.78 -70.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttmt -60.66 -41.99 85.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -37.78 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.414 1.744 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.24 -34.74 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.86 ' HA ' HD23 ' A' ' 13' ' ' LEU . 29.7 t70 -57.2 -57.98 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.46 -36.09 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.86 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.43 -30.42 57.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.52 -53.46 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.32 -34.7 64.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.75 87.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -86.17 -53.83 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -16.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.181 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.5 87.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.9 tt0 -77.97 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 28.4 ttmt -60.71 -41.98 85.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.07 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.561 1.822 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.49 -43.27 73.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.53 -35.2 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.82 -56.86 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -47.57 -23.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.26 -35.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.87 -33.89 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.9 t -63.76 -57.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.63 -35.36 63.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.81 86.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.22 -53.79 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -16.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -42.98 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.07 -69.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.677 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 ttmt -60.7 -41.91 85.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.95 -39.15 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CB ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.45 -42.84 78.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.15 -34.71 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 110.217 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.861 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.4 t70 -57.06 -58.13 9.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.06 -23.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.49 -36.13 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.33 -30.58 57.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.46 -53.42 45.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.36 -34.75 64.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.77 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.2 -53.72 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -16.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.93 -43.46 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.5 tt0 -77.73 -70.94 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttpt -60.7 -42.03 85.67 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -43.33 73.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.6 -35.3 20.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.9 t70 -56.79 -56.8 16.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.6 -23.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.33 -35.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.91 -33.87 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.5 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.7 tt0 -54.51 -35.34 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.93 85.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -86.06 -53.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -16.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.42 88.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.72 -70.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 15.9 ttpt -60.7 -41.97 85.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -75.03 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.45 -43.35 73.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.383 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.73 -35.58 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 28.9 t70 -56.96 -56.11 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.44 -34.99 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.69 -33.87 62.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.9 t -63.81 -57.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.47 -35.36 62.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.98 86.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -86.09 -53.76 4.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.52 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 28.5 tt0 -77.88 -71.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 8' ' ' LEU . 6.0 tt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.1 ttpp -60.77 -41.78 84.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.02 -39.14 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.41 -42.94 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.16 -34.64 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.862 ' HA ' HD23 ' A' ' 13' ' ' LEU . 20.2 t70 -57.08 -58.08 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.46 -30.43 57.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.49 -53.5 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.6 tp60 -55.31 -34.78 64.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.88 87.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -86.16 -53.81 4.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.94 -43.47 87.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 20.6 tt0 -77.7 -70.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.61 -42.11 86.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.6 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -43.35 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.238 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.28 -34.72 10.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -57.16 -58.06 9.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -23.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.19 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.37 -30.51 57.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.47 -53.46 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.27 -34.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.81 87.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -86.27 -53.73 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -16.57 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.29 88.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -77.48 -70.75 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.6 ttmt -60.67 -42.01 85.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.03 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -43.38 73.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.78 -35.51 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.971 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -56.98 -56.11 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.236 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.39 -35.15 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.64 -33.92 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 10' ' ' ASP . 92.2 t -63.81 -57.31 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.8 tp60 -54.68 -35.41 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.82 85.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.19 -53.84 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -16.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.86 -43.1 89.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.23 -70.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.53 ' C ' HG23 ' A' ' 3' ' ' VAL . 2.2 mtmm -147.11 -167.15 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.53 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.1 t 76.33 22.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -103.62 71.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -121.43 -4.72 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.75 -42.01 85.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.441 1.759 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.65 -43.38 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.38 -35.45 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.79 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -47.53 -23.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.14 -35.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.066 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.8 -33.85 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.0 t -63.74 -57.55 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.58 -35.37 63.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.86 85.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -86.1 -53.79 4.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -16.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.92 -43.23 88.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 39.9 tt0 -77.85 -71.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.24 149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -60.89 144.6 52.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' SER . 77.0 p -39.84 160.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 82.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' THR . 8.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' C ' HG23 ' A' ' 3' ' ' VAL . 16.3 mttt -141.36 -166.49 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.533 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.4 t 76.32 24.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -103.82 71.96 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -118.86 -7.6 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.391 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.0 ttmt -60.75 -41.95 85.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.99 -37.83 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.44 -43.2 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.51 -35.35 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.78 -56.85 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.57 -23.25 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.614 1.196 . . . . 0.0 109.245 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.86 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.6 t -63.79 -57.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.5 tm0? -54.67 -35.36 63.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.13 -53.8 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -16.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -43.47 88.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 34.2 tt0 -77.46 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.23 130.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -46.94 161.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' SER . 12.3 t -38.47 157.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.86 83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.617 ' C ' HG23 ' A' ' 3' ' ' VAL . 11.1 mttp -146.75 -166.95 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.617 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.4 t 76.25 23.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -103.7 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -121.41 -5.1 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 18.6 ttpt -60.66 -42.01 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -75.0 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -43.26 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.57 -35.24 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 34.1 t70 -56.97 -56.71 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.58 -23.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.99 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.83 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.6 t -63.77 -57.38 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.769 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.59 -35.35 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.98 85.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.09 -53.74 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.44 1.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -66.01 -43.43 87.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 32.8 tt0 -77.84 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.24 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 110.405 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -40.45 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.654 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 t -179.44 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 110.447 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.02 -55.97 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.158 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.691 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -140.03 -166.48 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.542 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.2 t 76.28 22.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 43.9 t30 -103.62 72.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -121.27 -5.15 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 24.7 ttmt -60.72 -42.05 85.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.94 -37.7 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -43.32 73.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.49 -35.37 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.81 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.63 -23.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.19 -35.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.93 -33.81 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.4 tm0? -54.49 -35.49 63.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.79 85.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -86.21 -53.78 4.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -16.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.96 -43.59 87.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.71 -70.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.31 149.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 23' ' ' THR . 11.5 t -52.08 -178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 22' ' ' THR . 9.0 t -175.48 34.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.29 -41.1 4.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' O ' ' CE ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' C ' HG23 ' A' ' 3' ' ' VAL . 15.9 mmtt -142.07 -166.56 2.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.6 t 76.36 23.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -103.71 72.13 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -120.72 -5.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 26.4 ttpt -60.67 -41.99 85.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.474 1.776 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -43.33 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.54 -35.33 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -56.77 -56.79 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.51 -23.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -35.05 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.81 -33.91 62.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.1 t -63.76 -57.42 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -54.51 -35.44 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.84 86.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -86.13 -53.8 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -16.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.39 87.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 22.1 tt0 -77.65 -70.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.6 t -98.7 132.66 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -67.88 64.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -64.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -140.92 -166.65 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.59 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.7 t 76.26 23.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -103.66 72.1 1.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -124.65 -1.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.665 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.7 ttpt -59.97 -42.2 89.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.41 2.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -43.32 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.59 -35.43 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.5 t70 -56.77 -56.79 17.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.65 -23.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.88 -33.93 62.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.3 t -63.8 -57.35 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.32 63.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.9 85.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -53.76 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.84 -43.53 88.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 27.7 tt0 -77.84 -70.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.26 153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.41 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -45.1 107.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.381 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -67.01 67.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.18 -67.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' O ' ' CE ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.849 ' O ' HG22 ' A' ' 3' ' ' VAL . 4.0 mmtp -142.06 -166.11 2.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.7 23.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 15.7 t-20 -103.7 72.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -122.79 -3.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.3 ttpt -60.68 -42.03 85.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.01 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.73 -43.42 72.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.47 -35.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 24.7 t70 -56.86 -56.75 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.55 -23.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -34.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.87 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.2 t -63.79 -57.46 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tt0 -54.53 -35.29 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.94 86.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -86.08 -53.82 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.55 87.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.0 tt0 -77.6 -70.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.3 106.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -84.35 50.56 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p 39.01 33.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.35 -68.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.173 . . . . 0.0 110.022 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.85 ' O ' HG22 ' A' ' 3' ' ' VAL . 21.3 mtmt -140.41 -166.13 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.72 22.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 11.7 t-20 -103.7 71.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -122.17 -4.08 8.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.6 ttpt -60.68 -42.02 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.96 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.6 -43.36 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.58 -35.22 19.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.4 t70 -56.89 -56.78 17.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.53 -23.23 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.3 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.9 -33.82 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 87.7 t -63.81 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.43 63.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.193 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.95 85.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -53.78 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.45 88.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.88 -70.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.4 153.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 22' ' ' THR . 7.4 t -70.47 60.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p 38.78 -157.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.5 64.84 4.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.777 ' O ' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -138.8 -161.04 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 2' ' ' LYS . 5.9 m 51.42 23.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -103.66 72.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.5 -5.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 8.7 ttpt -60.7 -41.99 85.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -74.97 -37.72 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.814 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.48 -43.4 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.45 -35.32 19.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.4 t70 -56.81 -56.79 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.61 -23.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.86 -33.88 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.2 t -63.77 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.58 -35.35 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.08 -53.85 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.88 -43.47 88.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 31.5 tt0 -77.87 -71.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.26 153.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.8 t -44.53 118.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 p -67.19 66.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -70.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' C ' HG23 ' A' ' 3' ' ' VAL . 12.1 mttt -146.02 -167.09 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.042 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.614 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.5 t 76.24 22.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -103.72 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.33 -6.07 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 20.8 ttmt -60.68 -42.0 85.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.15 -37.59 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -43.25 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.42 -34.68 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -57.14 -57.98 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.07 -23.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.44 -36.11 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.42 -30.42 57.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.56 -53.41 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -55.45 -34.75 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.79 87.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -53.84 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -16.42 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.97 -43.49 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.0 tt0 -77.88 -71.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.27 153.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.1 . . . . 0.0 110.509 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 22' ' ' THR . 11.8 t -50.17 111.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -66.95 67.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.13 -67.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.025 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.644 ' C ' HG23 ' A' ' 3' ' ' VAL . 4.3 mttm -150.18 -167.51 2.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.3 t 76.21 23.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.637 ' O ' HG22 ' A' ' 5' ' ' ILE . 32.2 t30 -103.71 72.85 1.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER 49.98 15.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.0 ttpt -61.3 -41.21 78.74 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.98 -39.92 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -68.06 -42.08 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.31 -35.28 17.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 110.264 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.964 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.74 -56.96 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.48 -23.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.97 -33.79 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.7 t -63.78 -57.46 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.48 -35.39 63.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.88 86.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.15 -53.75 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -16.44 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.53 87.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.1 tt0 -77.83 -70.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.35 146.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.363 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.2 t -93.04 153.77 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' SER . 6.1 t -38.37 156.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.6 78.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' THR . 47.3 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 11.5 mtpt -150.09 -167.17 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' LYS . 12.0 t 75.09 23.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.447 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 5.1 t-20 -103.71 72.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.32 -5.04 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 21.0 ttpt -60.75 -41.97 85.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.5 -35.33 19.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 32.3 t70 -56.79 -56.79 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.54 -23.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.31 -34.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.8 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.4 t -63.83 -57.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -54.6 -35.34 63.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.99 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -86.02 -53.84 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' HG22 ' A' ' 23' ' ' THR . 0.3 OUTLIER -53.53 -16.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.47 88.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.78 -70.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.36 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -63.69 112.65 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 18' ' ' GLU . 69.6 p -67.01 67.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.05 -69.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.837 ' O ' HG22 ' A' ' 3' ' ' VAL . 3.2 mptt -136.84 -165.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.75 22.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -103.7 72.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.351 1.032 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.1 -6.38 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttmt -60.66 -41.99 85.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -37.78 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.414 1.744 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.24 -34.74 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.86 ' HA ' HD23 ' A' ' 13' ' ' LEU . 29.7 t70 -57.2 -57.98 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.46 -36.09 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.43 -30.42 57.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.52 -53.46 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.32 -34.7 64.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.75 87.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -86.17 -53.83 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -16.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.181 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.5 87.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.9 tt0 -77.97 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.35 153.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -49.12 116.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 5.7 t -67.11 67.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.07 -66.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.044 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.75 ' C ' HG13 ' A' ' 3' ' ' VAL . 1.2 mttt -132.93 -163.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.75 HG13 ' C ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 68.74 20.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.485 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 4.7 t-20 -103.57 71.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -120.45 -6.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 28.4 ttmt -60.71 -41.98 85.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.07 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.561 1.822 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.49 -43.27 73.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.53 -35.2 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.82 -56.86 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -47.57 -23.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.26 -35.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.87 -33.89 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.9 t -63.76 -57.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.63 -35.36 63.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.81 86.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.22 -53.79 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -16.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -42.98 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.07 -69.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -169.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 11.7 t -40.19 145.09 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' SER . 11.8 t -38.95 158.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 80.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.945 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -134.76 -165.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.55 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.0 t 76.17 22.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' C ' ' N ' ' A' ' 6' ' ' LYS . 59.4 t30 -103.6 72.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 48.88 18.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.677 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 ttmt -60.7 -41.91 85.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.95 -39.15 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CB ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.45 -42.84 78.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.15 -34.71 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 110.217 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.861 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.4 t70 -57.06 -58.13 9.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.06 -23.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.49 -36.13 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.33 -30.58 57.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.46 -53.42 45.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.36 -34.75 64.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.77 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.2 -53.72 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -16.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.93 -43.46 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.5 tt0 -77.73 -70.94 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.36 139.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -126.37 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p 39.61 33.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.35 -50.2 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.958 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.846 ' O ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -141.68 -166.29 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.846 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.7 23.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 4.4 t-20 -103.71 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.3 -5.06 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttpt -60.7 -42.03 85.67 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -43.33 73.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.6 -35.3 20.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.9 t70 -56.79 -56.8 16.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.6 -23.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.33 -35.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.91 -33.87 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.5 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.7 tt0 -54.51 -35.34 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.93 85.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -86.06 -53.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -16.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.42 88.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.72 -70.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 143.03 6.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -38.73 119.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 p -67.18 66.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.14 -67.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.851 ' O ' HG22 ' A' ' 3' ' ' VAL . 2.7 mtpt -148.17 -166.9 2.66 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.76 23.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -103.68 72.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -120.51 -5.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 15.9 ttpt -60.7 -41.97 85.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -75.03 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.45 -43.35 73.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.383 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.73 -35.58 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 28.9 t70 -56.96 -56.11 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.44 -34.99 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.69 -33.87 62.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.9 t -63.81 -57.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.47 -35.36 62.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.98 86.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -86.09 -53.76 4.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.52 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 28.5 tt0 -77.88 -71.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.21 152.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -43.4 111.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 23' ' ' THR . 9.4 t -67.01 67.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.15 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.676 ' H3 ' ' NZ ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.676 ' NZ ' ' H3 ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -139.51 -166.2 2.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.632 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.3 t 76.32 22.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.616 ' O ' HG22 ' A' ' 5' ' ' ILE . 14.6 t-20 -103.52 72.97 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 4' ' ' ASN . 6.0 tt 48.97 18.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.1 ttpp -60.77 -41.78 84.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.02 -39.14 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.41 -42.94 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.16 -34.64 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.862 ' HA ' HD23 ' A' ' 13' ' ' LEU . 20.2 t70 -57.08 -58.08 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.46 -30.43 57.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.49 -53.5 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.6 tp60 -55.31 -34.78 64.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.88 87.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -86.16 -53.81 4.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.94 -43.47 87.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 20.6 tt0 -77.7 -70.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.32 106.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 10.1 t -128.02 138.64 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 23' ' ' THR . 13.2 t -68.41 62.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.07 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.594 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -139.84 -166.38 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.594 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.6 t 76.2 23.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -103.75 72.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -119.97 -6.41 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.61 -42.11 86.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.6 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -43.35 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.238 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.28 -34.72 10.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -57.16 -58.06 9.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -23.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.19 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.37 -30.51 57.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.47 -53.46 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.27 -34.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.81 87.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -86.27 -53.73 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -53.5 -16.57 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.29 88.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -77.48 -70.75 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.46 177.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -77.06 148.87 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' SER . 6.3 t -38.34 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' OE1' ' A' ' 18' ' ' GLU . . . -62.7 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.551 ' C ' HG23 ' A' ' 3' ' ' VAL . 5.9 mttt -150.14 -167.47 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.551 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.0 t 76.33 23.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -103.71 71.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -120.35 -5.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.6 ttmt -60.67 -42.01 85.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.03 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -43.38 73.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.78 -35.51 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.971 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -56.98 -56.11 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.236 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.39 -35.15 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.64 -33.92 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 10' ' ' ASP . 92.2 t -63.81 -57.31 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.8 tp60 -54.68 -35.41 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.82 85.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.19 -53.84 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -16.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.86 -43.1 89.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.23 -70.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.96 173.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -82.61 111.6 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 23' ' ' THR . 15.0 t -67.03 67.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -68.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.75 -42.01 85.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.441 1.759 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.65 -43.38 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.38 -35.45 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.79 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -47.53 -23.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.14 -35.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.066 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.8 -33.85 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.0 t -63.74 -57.55 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.58 -35.37 63.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.86 85.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -86.1 -53.79 4.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -16.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.92 -43.23 88.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 39.9 tt0 -77.85 -71.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.0 ttmt -60.75 -41.95 85.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.99 -37.83 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.44 -43.2 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.51 -35.35 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.78 -56.85 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.57 -23.25 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.614 1.196 . . . . 0.0 109.245 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.86 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.6 t -63.79 -57.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.5 tm0? -54.67 -35.36 63.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.13 -53.8 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -16.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -43.47 88.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 34.2 tt0 -77.46 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 18.6 ttpt -60.66 -42.01 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -75.0 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -43.26 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.57 -35.24 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 34.1 t70 -56.97 -56.71 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.58 -23.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.99 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.83 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.6 t -63.77 -57.38 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.769 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.59 -35.35 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.98 85.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.09 -53.74 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.44 1.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -66.01 -43.43 87.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 32.8 tt0 -77.84 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 24.7 ttmt -60.72 -42.05 85.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.94 -37.7 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -43.32 73.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.49 -35.37 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.81 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.63 -23.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.19 -35.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.93 -33.81 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.4 tm0? -54.49 -35.49 63.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.79 85.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -86.21 -53.78 4.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -16.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.96 -43.59 87.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.71 -70.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 26.4 ttpt -60.67 -41.99 85.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.474 1.776 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -43.33 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.54 -35.33 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -56.77 -56.79 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.51 -23.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -35.05 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.81 -33.91 62.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.1 t -63.76 -57.42 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -54.51 -35.44 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.84 86.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -86.13 -53.8 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -16.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.39 87.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 22.1 tt0 -77.65 -70.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.665 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.7 ttpt -59.97 -42.2 89.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.41 2.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -43.32 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.59 -35.43 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.5 t70 -56.77 -56.79 17.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.65 -23.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.88 -33.93 62.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.3 t -63.8 -57.35 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.32 63.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.9 85.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -53.76 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.84 -43.53 88.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 27.7 tt0 -77.84 -70.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.3 ttpt -60.68 -42.03 85.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.01 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.73 -43.42 72.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.47 -35.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 24.7 t70 -56.86 -56.75 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.55 -23.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -34.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.87 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.2 t -63.79 -57.46 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tt0 -54.53 -35.29 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.94 86.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -86.08 -53.82 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.55 87.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.0 tt0 -77.6 -70.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.6 ttpt -60.68 -42.02 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.96 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.6 -43.36 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.58 -35.22 19.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.4 t70 -56.89 -56.78 17.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.53 -23.23 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.3 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.9 -33.82 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 87.7 t -63.81 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.43 63.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.193 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.95 85.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -53.78 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.45 88.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.88 -70.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 8.7 ttpt -60.7 -41.99 85.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -74.97 -37.72 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.814 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.48 -43.4 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.45 -35.32 19.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.4 t70 -56.81 -56.79 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.61 -23.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.86 -33.88 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.2 t -63.77 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.58 -35.35 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.08 -53.85 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.88 -43.47 88.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 31.5 tt0 -77.87 -71.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 110.39 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 20.8 ttmt -60.68 -42.0 85.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.15 -37.59 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -43.25 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.42 -34.68 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -57.14 -57.98 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.07 -23.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.44 -36.11 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.42 -30.42 57.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.56 -53.41 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -55.45 -34.75 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.79 87.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -53.84 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -16.42 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.97 -43.49 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.0 tt0 -77.88 -71.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.1 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.412 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.0 ttpt -61.3 -41.21 78.74 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.98 -39.92 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -68.06 -42.08 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.31 -35.28 17.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 110.264 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.964 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.74 -56.96 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.48 -23.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.97 -33.79 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.7 t -63.78 -57.46 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.48 -35.39 63.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.88 86.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.15 -53.75 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -16.44 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.53 87.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.1 tt0 -77.83 -70.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.363 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 21.0 ttpt -60.75 -41.97 85.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.5 -35.33 19.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 32.3 t70 -56.79 -56.79 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.54 -23.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.31 -34.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.8 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.4 t -63.83 -57.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -54.6 -35.34 63.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.99 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -86.02 -53.84 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -16.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.47 88.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.78 -70.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttmt -60.66 -41.99 85.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -37.78 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.414 1.744 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.24 -34.74 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.86 ' HA ' HD23 ' A' ' 13' ' ' LEU . 29.7 t70 -57.2 -57.98 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.46 -36.09 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.86 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.43 -30.42 57.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.52 -53.46 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.32 -34.7 64.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.75 87.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -86.17 -53.83 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -16.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.181 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.5 87.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.9 tt0 -77.97 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 28.4 ttmt -60.71 -41.98 85.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.07 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.561 1.822 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.49 -43.27 73.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.53 -35.2 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.82 -56.86 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -47.57 -23.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.26 -35.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.87 -33.89 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.9 t -63.76 -57.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.63 -35.36 63.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.81 86.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.22 -53.79 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -16.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -42.98 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.07 -69.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.677 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 ttmt -60.7 -41.91 85.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.95 -39.15 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CB ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.45 -42.84 78.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.15 -34.71 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 110.217 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.861 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.4 t70 -57.06 -58.13 9.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.06 -23.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.49 -36.13 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.33 -30.58 57.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.46 -53.42 45.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.36 -34.75 64.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.77 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.2 -53.72 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -16.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.93 -43.46 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.5 tt0 -77.73 -70.94 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttpt -60.7 -42.03 85.67 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -43.33 73.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.6 -35.3 20.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.9 t70 -56.79 -56.8 16.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.6 -23.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.33 -35.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.91 -33.87 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.5 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.7 tt0 -54.51 -35.34 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.93 85.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -86.06 -53.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -16.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.42 88.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.72 -70.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 15.9 ttpt -60.7 -41.97 85.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -75.03 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.45 -43.35 73.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.383 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.73 -35.58 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 28.9 t70 -56.96 -56.11 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.44 -34.99 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.69 -33.87 62.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.9 t -63.81 -57.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.47 -35.36 62.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.98 86.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -86.09 -53.76 4.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.52 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 28.5 tt0 -77.88 -71.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 8' ' ' LEU . 6.0 tt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.1 ttpp -60.77 -41.78 84.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.02 -39.14 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.41 -42.94 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.16 -34.64 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.862 ' HA ' HD23 ' A' ' 13' ' ' LEU . 20.2 t70 -57.08 -58.08 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.46 -30.43 57.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.49 -53.5 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.6 tp60 -55.31 -34.78 64.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.88 87.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -86.16 -53.81 4.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.94 -43.47 87.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 20.6 tt0 -77.7 -70.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.61 -42.11 86.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.6 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -43.35 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.238 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.28 -34.72 10.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -57.16 -58.06 9.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -23.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.19 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.37 -30.51 57.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.47 -53.46 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.27 -34.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.81 87.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -86.27 -53.73 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -16.57 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.29 88.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -77.48 -70.75 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.6 ttmt -60.67 -42.01 85.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.03 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -43.38 73.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.78 -35.51 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.971 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -56.98 -56.11 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.236 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.39 -35.15 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.64 -33.92 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 10' ' ' ASP . 92.2 t -63.81 -57.31 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.8 tp60 -54.68 -35.41 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.82 85.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.19 -53.84 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -16.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.86 -43.1 89.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.23 -70.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.53 ' C ' HG23 ' A' ' 3' ' ' VAL . 2.2 mtmm -147.11 -167.15 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.53 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.1 t 76.33 22.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -103.62 71.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -121.43 -4.72 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.75 -42.01 85.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.441 1.759 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.65 -43.38 72.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.38 -35.45 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.332 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.79 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -47.53 -23.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.14 -35.1 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.066 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.8 -33.85 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.0 t -63.74 -57.55 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.58 -35.37 63.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.86 85.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -86.1 -53.79 4.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -16.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.92 -43.23 88.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 39.9 tt0 -77.85 -71.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.24 149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -60.89 144.6 52.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' SER . 77.0 p -39.84 160.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 82.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' THR . 8.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' C ' HG23 ' A' ' 3' ' ' VAL . 16.3 mttt -141.36 -166.49 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.533 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.4 t 76.32 24.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -103.82 71.96 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -118.86 -7.6 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.391 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.0 ttmt -60.75 -41.95 85.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.99 -37.83 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.44 -43.2 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.51 -35.35 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.78 -56.85 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.57 -23.25 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.614 1.196 . . . . 0.0 109.245 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.86 61.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.6 t -63.79 -57.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.5 tm0? -54.67 -35.36 63.45 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.13 -53.8 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -16.52 1.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -43.47 88.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 34.2 tt0 -77.46 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.23 130.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -46.94 161.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' SER . 12.3 t -38.47 157.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.86 83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.617 ' C ' HG23 ' A' ' 3' ' ' VAL . 11.1 mttp -146.75 -166.95 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.617 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.4 t 76.25 23.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -103.7 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -121.41 -5.1 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 18.6 ttpt -60.66 -42.01 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -75.0 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -43.26 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.57 -35.24 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 34.1 t70 -56.97 -56.71 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.58 -23.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.99 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.83 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.6 t -63.77 -57.38 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.769 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.59 -35.35 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.98 85.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.09 -53.74 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.44 1.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -66.01 -43.43 87.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 32.8 tt0 -77.84 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.24 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 110.405 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -40.45 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.654 ' H ' HG23 ' A' ' 22' ' ' THR . 1.8 t -179.44 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.379 1.05 . . . . 0.0 110.447 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.02 -55.97 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.158 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.691 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -140.03 -166.48 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.542 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.2 t 76.28 22.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.226 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 43.9 t30 -103.62 72.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -121.27 -5.15 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 24.7 ttmt -60.72 -42.05 85.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.94 -37.7 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -43.32 73.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.49 -35.37 19.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -56.79 -56.81 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.63 -23.19 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.19 -35.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.93 -33.81 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.48 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.4 tm0? -54.49 -35.49 63.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.79 85.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -86.21 -53.78 4.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -16.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.96 -43.59 87.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.71 -70.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.31 149.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 23' ' ' THR . 11.5 t -52.08 -178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 22' ' ' THR . 9.0 t -175.48 34.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.29 -41.1 4.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' O ' ' CE ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' C ' HG23 ' A' ' 3' ' ' VAL . 15.9 mmtt -142.07 -166.56 2.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.6 t 76.36 23.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -103.71 72.13 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -120.72 -5.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 26.4 ttpt -60.67 -41.99 85.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -37.75 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.474 1.776 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -43.33 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.54 -35.33 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -56.77 -56.79 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.51 -23.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -35.05 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.81 -33.91 62.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.1 t -63.76 -57.42 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -54.51 -35.44 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.84 86.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -86.13 -53.8 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -16.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.39 87.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 22.1 tt0 -77.65 -70.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.32 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.6 t -98.7 132.66 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -67.88 64.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -64.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -140.92 -166.65 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.59 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.7 t 76.26 23.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.66 72.1 1.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -124.65 -1.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.665 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.7 ttpt -59.97 -42.2 89.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.41 2.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -43.32 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.59 -35.43 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.5 t70 -56.77 -56.79 17.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.65 -23.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.32 -34.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.88 -33.93 62.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.3 t -63.8 -57.35 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.32 63.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.9 85.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -53.76 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.84 -43.53 88.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 27.7 tt0 -77.84 -70.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.26 153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.41 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -45.1 107.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.381 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -67.01 67.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.18 -67.96 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' O ' ' CE ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.849 ' O ' HG22 ' A' ' 3' ' ' VAL . 4.0 mmtp -142.06 -166.11 2.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.7 23.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 15.7 t-20 -103.7 72.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -122.79 -3.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 19.3 ttpt -60.68 -42.03 85.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.01 -37.49 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.73 -43.42 72.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.47 -35.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.965 ' HA ' HD23 ' A' ' 13' ' ' LEU . 24.7 t70 -56.86 -56.75 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.55 -23.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.27 -34.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.965 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.96 -33.87 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.2 t -63.79 -57.46 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tt0 -54.53 -35.29 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.85 -43.94 86.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -86.08 -53.82 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.55 87.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.0 tt0 -77.6 -70.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.3 106.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -84.35 50.56 1.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p 39.01 33.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.35 -68.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.173 . . . . 0.0 110.022 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.85 ' O ' HG22 ' A' ' 3' ' ' VAL . 21.3 mtmt -140.41 -166.13 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.72 22.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 11.7 t-20 -103.7 71.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -122.17 -4.08 8.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.6 ttpt -60.68 -42.02 85.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.96 -37.69 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.6 -43.36 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.58 -35.22 19.97 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 33.4 t70 -56.89 -56.78 17.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.53 -23.23 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.3 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.9 -33.82 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 10' ' ' ASP . 87.7 t -63.81 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.61 -35.43 63.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.193 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.72 -43.95 85.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -53.78 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.45 88.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' THR . 33.3 tt0 -77.88 -70.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.4 153.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 22' ' ' THR . 7.4 t -70.47 60.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p 38.78 -157.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.5 64.84 4.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.777 ' O ' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -138.8 -161.04 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 2' ' ' LYS . 5.9 m 51.42 23.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -103.66 72.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.5 -5.95 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 8.7 ttpt -60.7 -41.99 85.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -74.97 -37.72 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.814 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.48 -43.4 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.45 -35.32 19.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.4 t70 -56.81 -56.79 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.61 -23.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -35.0 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.86 -33.88 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.2 t -63.77 -57.44 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.58 -35.35 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.88 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -86.08 -53.85 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.88 -43.47 88.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 31.5 tt0 -77.87 -71.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.26 153.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.8 t -44.53 118.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 p -67.19 66.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -70.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' C ' HG23 ' A' ' 3' ' ' VAL . 12.1 mttt -146.02 -167.09 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.042 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.614 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.5 t 76.24 22.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -103.72 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.33 -6.07 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 20.8 ttmt -60.68 -42.0 85.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.15 -37.59 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -43.25 72.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.42 -34.68 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -57.14 -57.98 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -47.07 -23.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.44 -36.11 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.42 -30.42 57.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.56 -53.41 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -55.45 -34.75 64.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.79 87.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.244 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -53.84 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -16.42 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.97 -43.49 87.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.0 tt0 -77.88 -71.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.27 153.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.1 . . . . 0.0 110.509 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 22' ' ' THR . 11.8 t -50.17 111.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -66.95 67.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.13 -67.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.025 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.644 ' C ' HG23 ' A' ' 3' ' ' VAL . 4.3 mttm -150.18 -167.51 2.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.3 t 76.21 23.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.637 ' O ' HG22 ' A' ' 5' ' ' ILE . 32.2 t30 -103.71 72.85 1.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER 49.98 15.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.0 ttpt -61.3 -41.21 78.74 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.98 -39.92 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -68.06 -42.08 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.31 -35.28 17.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 110.264 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.964 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.74 -56.96 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.48 -23.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.28 -34.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.97 -33.79 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.7 t -63.78 -57.46 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.3 tp60 -54.48 -35.39 63.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.88 86.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.15 -53.75 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -16.44 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.53 87.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.1 tt0 -77.83 -70.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.35 146.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.363 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.2 t -93.04 153.77 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' SER . 6.1 t -38.37 156.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.6 78.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' THR . 47.3 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 11.5 mtpt -150.09 -167.17 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' LYS . 12.0 t 75.09 23.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.447 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 5.1 t-20 -103.71 72.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.32 -5.04 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 21.0 ttpt -60.75 -41.97 85.2 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.5 -35.33 19.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 32.3 t70 -56.79 -56.79 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.54 -23.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.31 -34.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.98 -33.8 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.4 t -63.83 -57.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -54.6 -35.34 63.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.99 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -86.02 -53.84 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' HG22 ' A' ' 23' ' ' THR . 0.3 OUTLIER -53.53 -16.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.89 -43.47 88.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.78 -70.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.36 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -63.69 112.65 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 18' ' ' GLU . 69.6 p -67.01 67.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.05 -69.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.837 ' O ' HG22 ' A' ' 3' ' ' VAL . 3.2 mptt -136.84 -165.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.75 22.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -103.7 72.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.351 1.032 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.1 -6.38 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.674 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttmt -60.66 -41.99 85.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -37.78 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.414 1.744 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -43.29 72.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.24 -34.74 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.86 ' HA ' HD23 ' A' ' 13' ' ' LEU . 29.7 t70 -57.2 -57.98 10.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.46 -36.09 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.43 -30.42 57.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.52 -53.46 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.32 -34.7 64.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.75 87.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -86.17 -53.83 4.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -16.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.181 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.98 -43.5 87.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.9 tt0 -77.97 -71.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.35 153.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -49.12 116.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 5.7 t -67.11 67.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.07 -66.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.044 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.75 ' C ' HG13 ' A' ' 3' ' ' VAL . 1.2 mttt -132.93 -163.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.75 HG13 ' C ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 68.74 20.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.485 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 4.7 t-20 -103.57 71.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -120.45 -6.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 28.4 ttmt -60.71 -41.98 85.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.07 -37.7 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.561 1.822 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -69.49 -43.27 73.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -49.53 -35.2 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.966 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.82 -56.86 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -47.57 -23.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.26 -35.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.966 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.87 -33.89 62.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 10' ' ' ASP . 88.9 t -63.76 -57.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -54.63 -35.36 63.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.81 86.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.22 -53.79 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -16.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.83 -42.98 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.07 -69.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -169.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 11.7 t -40.19 145.09 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' SER . 11.8 t -38.95 158.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 80.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.945 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -134.76 -165.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.55 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.0 t 76.17 22.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' C ' ' N ' ' A' ' 6' ' ' LYS . 59.4 t30 -103.6 72.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 48.88 18.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.677 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 ttmt -60.7 -41.91 85.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.95 -39.15 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CB ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.45 -42.84 78.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.15 -34.71 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 110.217 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.861 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.4 t70 -57.06 -58.13 9.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.06 -23.88 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.49 -36.13 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.33 -30.58 57.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.46 -53.42 45.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -55.36 -34.75 64.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.77 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.2 -53.72 4.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -16.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.93 -43.46 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 29.5 tt0 -77.73 -70.94 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.36 139.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t -126.37 -44.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p 39.61 33.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.35 -50.2 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.958 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.846 ' O ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -141.68 -166.29 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.846 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.7 23.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 7' ' ' PRO . 4.4 t-20 -103.71 72.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -121.3 -5.06 9.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 16.3 ttpt -60.7 -42.03 85.67 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -74.98 -37.68 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -43.33 73.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.6 -35.3 20.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.967 ' HA ' HD23 ' A' ' 13' ' ' LEU . 23.9 t70 -56.79 -56.8 16.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.6 -23.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -95.33 -35.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.91 -33.87 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' ASP . 89.5 t -63.71 -57.5 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.7 tt0 -54.51 -35.34 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.93 85.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.366 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -86.06 -53.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -16.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.42 88.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -77.72 -70.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 143.03 6.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' ALA . 11.7 t -38.73 119.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 p -67.18 66.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.14 -67.13 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.851 ' O ' HG22 ' A' ' 3' ' ' VAL . 2.7 mtpt -148.17 -166.9 2.66 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER 74.76 23.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -103.68 72.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -120.51 -5.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 15.9 ttpt -60.7 -41.97 85.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -75.03 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.45 -43.35 73.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.383 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.73 -35.58 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.968 ' HA ' HD23 ' A' ' 13' ' ' LEU . 28.9 t70 -56.96 -56.11 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.44 -34.99 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.968 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.69 -33.87 62.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ASP . 90.9 t -63.81 -57.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.767 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -54.47 -35.36 62.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.98 86.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -86.09 -53.76 4.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -16.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.87 -43.52 88.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' THR . 28.5 tt0 -77.88 -71.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -36.21 152.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -43.4 111.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 23' ' ' THR . 9.4 t -67.01 67.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.15 -67.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.676 ' H3 ' ' NZ ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.676 ' NZ ' ' H3 ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -139.51 -166.2 2.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.632 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.3 t 76.32 22.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.616 ' O ' HG22 ' A' ' 5' ' ' ILE . 14.6 t-20 -103.52 72.97 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 4' ' ' ASN . 6.0 tt 48.97 18.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.675 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 6.1 ttpp -60.77 -41.78 84.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.02 -39.14 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -68.41 -42.94 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -48.16 -34.64 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.862 ' HA ' HD23 ' A' ' 13' ' ' LEU . 20.2 t70 -57.08 -58.08 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -47.08 -23.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.07 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.46 -30.43 57.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.49 -53.5 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.6 tp60 -55.31 -34.78 64.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.88 87.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -86.16 -53.81 4.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -16.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.94 -43.47 87.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 20.6 tt0 -77.7 -70.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -36.32 106.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 10.1 t -128.02 138.64 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 23' ' ' THR . 13.2 t -68.41 62.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.07 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.594 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -139.84 -166.38 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.594 HG23 ' C ' ' A' ' 2' ' ' LYS . 2.6 t 76.2 23.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -103.75 72.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -119.97 -6.41 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 27.9 ttmt -60.61 -42.11 86.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.6 Cg_endo -74.93 -37.76 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -43.35 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.238 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -48.28 -34.72 10.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.859 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -57.16 -58.06 9.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -23.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -92.5 -36.19 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.37 -30.51 57.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -63.47 -53.46 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -55.27 -34.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.81 87.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -86.27 -53.73 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -53.5 -16.57 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.343 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.91 -43.29 88.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -77.48 -70.75 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.46 177.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -77.06 148.87 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' SER . 6.3 t -38.34 157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' OE1' ' A' ' 18' ' ' GLU . . . -62.7 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' C ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.551 ' C ' HG23 ' A' ' 3' ' ' VAL . 5.9 mttt -150.14 -167.47 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.551 HG23 ' C ' ' A' ' 2' ' ' LYS . 3.0 t 76.33 23.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -103.71 71.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -120.35 -5.99 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.667 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.6 ttmt -60.67 -42.01 85.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.03 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -43.38 73.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -49.78 -35.51 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.971 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -56.98 -56.11 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.236 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -47.96 -24.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' N ' ' C ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -94.39 -35.15 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -74.64 -33.92 62.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 10' ' ' ASP . 92.2 t -63.81 -57.31 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 3.8 tp60 -54.68 -35.41 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.82 85.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.19 -53.84 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -16.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -65.86 -43.1 89.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.23 -70.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.96 173.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 11.7 t -82.61 111.6 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 23' ' ' THR . 15.0 t -67.03 67.34 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' THR . . . -115.09 -68.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 stop_ save_