data_2hdc_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 2hdc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.608 ' OH ' ' CZ2' ' A' ' 47' ' ' TRP . 4.1 m-30 -81.3 -32.04 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.36 -37.77 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.26 42.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 11' ' ' LEU . 4.3 mm? -58.56 -33.18 69.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 13' ' ' THR . 1.4 mp -67.37 -59.33 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 81.6 p -45.62 -38.91 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 29.6 ttp -75.65 -32.92 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . . . -67.14 -32.54 73.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.509 HG12 ' CD1' ' A' ' 79' ' ' LEU . 6.5 tp -84.38 -43.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 87' ' ' PHE . 67.2 mt -63.61 -45.22 91.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -52.95 -18.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.77 78.62 7.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -3.43 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt 67.34 64.97 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 179.1 152.13 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 77' ' ' TRP . 12.1 tp -164.74 159.89 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -136.05 125.24 24.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -47.2 -49.56 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.538 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 m -62.31 -46.96 86.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.35 72.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -66.7 -45.33 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.3 t -55.37 -33.97 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.33 -42.92 29.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.84 -29.22 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 16.7 mm -81.29 -56.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 22.1 p -55.25 -33.16 62.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.38 -32.78 68.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -80.11 -50.82 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CB ' ' CD2' ' A' ' 40' ' ' TYR . 62.3 m-85 -113.51 118.4 43.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -52.21 -37.37 54.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 13.1 m-30 -66.7 -36.85 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 4.1 ttp180 -80.06 -13.94 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -81.7 -55.61 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -75.56 -53.01 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 1.4 t80 36.07 61.74 2.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.594 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 43.82 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 45' ' ' PRO . . . 91.43 66.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CZ2' ' OH ' ' A' ' 8' ' ' TYR . 7.9 m95 -82.06 -0.05 42.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.539 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.3 tm0? -68.88 -60.85 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.58 -34.37 60.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -54.67 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' LEU . 26.6 mm -65.58 -58.69 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.539 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 10.9 mtt180 -49.85 -33.18 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 43.7 t60 -68.82 -57.42 5.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 14.1 m-80 -69.48 -12.65 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -83.57 -54.34 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.412 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.3 p -80.61 -50.67 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -68.44 80.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.28 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -66.21 -46.54 76.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 15.0 m 68.46 64.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -115.86 -163.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' THR . 47.4 t -117.38 137.33 51.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -122.58 169.37 11.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -118.38 121.94 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.05 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -106.72 169.08 7.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.67 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.74 43.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -134.82 64.32 62.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.02 79.63 2.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.11 -80.14 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 54.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ASN . . . -116.92 77.41 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 9.3 p-10 -111.81 -174.54 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CB ' HG12 ' A' ' 64' ' ' ILE . 1.8 m-85 -145.94 136.01 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 8.5 m0 -125.73 129.63 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' VAL . 23.8 m -119.82 130.49 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.509 ' CD1' HG12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.04 145.14 45.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.32 170.4 10.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 66.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 9.9 t -54.93 -54.27 44.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.26 -17.09 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.92 -51.49 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 3.5 ptt? -66.85 -16.3 64.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 18.6 m-85 -81.25 -41.24 22.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -41.64 -32.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.9 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 ' CE1' ' A' ' 37' ' ' PHE . 53.3 mt -49.04 -34.01 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.1 mm -74.53 -50.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' HD11 ' A' ' 17' ' ' LEU . 50.2 m -45.13 -39.11 5.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -40.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -54.68 -38.25 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mm -81.78 -53.95 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 13' ' ' THR . 0.7 OUTLIER -50.37 -43.0 54.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.09 -24.19 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 13.4 p -123.32 74.66 51.48 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.82 19.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -70.11 -94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 4.7 tttp 178.79 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -176.43 143.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 2.7 mm? -142.3 159.01 43.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 24' ' ' LEU . 5.1 p -144.34 94.96 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.1 tm? -44.71 -47.88 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 89.7 p -61.09 -56.57 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.79 -45.52 94.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 30' ' ' CYS . 1.1 mp -57.5 -42.93 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' SG ' ' CZ3' ' A' ' 47' ' ' TRP . 20.1 t -57.15 -46.87 82.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -31.88 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -69.63 -29.58 67.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.554 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 4.3 mt -77.51 -55.16 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -50.9 -38.3 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.43 -49.61 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -64.68 -55.24 21.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CE1' HD21 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -114.95 91.67 27.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 14.9 p90 -52.47 -38.17 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.9 t80 -59.21 -37.4 77.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -32.78 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -10.58 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -109.68 1.09 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 1.1 t80 -176.95 68.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.78 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . 171.5 59.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.578 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -110.91 40.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' OE1' ' OD1' ' A' ' 49' ' ' ASN . 13.4 tt0 -78.94 -61.02 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' OE1' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -78.04 -37.0 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.626 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -53.88 -53.19 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.493 HD12 ' CD1' ' A' ' 8' ' ' TYR . 9.2 mm -68.52 -47.75 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -55.75 -25.13 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' LEU . 51.0 t60 -78.64 -53.76 6.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.31 -13.08 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.66 -56.45 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.639 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -80.24 -49.07 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.38 73.43 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.37 -41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 1.1 m-20 -76.51 -44.65 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.5 m 69.29 54.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -127.31 -152.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.86 164.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.38 171.12 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -119.53 122.19 29.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.1 Cg_endo -75.03 -169.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 73.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -81.51 -59.03 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.99 53.1 4.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -71.69 155.83 91.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.01 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.38 -111.27 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.76 58.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.27 87.1 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 16.9 p-10 -127.61 171.26 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -149.21 141.16 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 17.4 m0 -119.26 149.94 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 22.5 m -119.3 126.98 52.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 6.8 tt -117.23 149.84 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 12.0 t70 -72.86 145.0 86.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.02 82.97 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 168.39 40.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.435 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.53 -38.07 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.97 -36.47 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.32 -58.16 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 4.0 ptt? -59.92 -15.01 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 83' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 37.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.466 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 31.3 m-85 -69.17 -31.67 70.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 tt -51.06 -52.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.1 -50.28 73.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 37' ' ' PHE . 59.3 mt -54.21 -28.52 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -78.01 -59.21 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 29.4 p -39.7 -36.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.3 ttp -80.96 -45.78 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 11' ' ' LEU . . . -56.26 -33.66 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.6 mm -77.77 -51.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' HD21 ' A' ' 17' ' ' LEU . 4.1 mm? -57.13 -40.06 76.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -47.4 -28.32 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 3.8 p -119.08 77.57 16.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.78 14.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -71.42 -91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.25 73.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -177.84 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -149.37 175.25 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER 179.59 110.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.5 tm? -50.38 -50.79 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -49.82 -49.51 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.1 85.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.456 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -59.87 -63.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 t -48.85 -41.24 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -36.66 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -19.34 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 29' ' ' ILE . 5.8 mm -74.21 -40.43 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -71.21 -45.69 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -51.05 -42.17 60.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -75.63 -45.82 35.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 11' ' ' LEU . 12.5 m-85 -125.84 106.44 25.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -50.77 -37.49 42.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -40.43 96.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -80.36 -18.66 48.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -50.71 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -78.29 -49.48 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 10.9 t80 43.15 73.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 68.5 59.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.523 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.4 p-90 -97.15 28.09 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -71.69 -69.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -71.07 -22.78 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.466 ' OG ' ' CE2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -62.46 -54.95 32.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.6 tp -66.92 -43.07 89.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CZ ' HD13 ' A' ' 26' ' ' LEU . 16.2 mtt180 -61.27 -32.26 72.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.2 t60 -68.05 -59.55 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.67 -13.11 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.491 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 tp -82.57 -52.34 6.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.604 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -77.48 -55.0 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.051 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.3 mm? -72.31 82.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 165.42 -54.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.4 m-20 -81.56 -46.73 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.4 t 76.28 62.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.332 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.604 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -119.22 -162.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.447 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 13.6 t -119.71 149.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.671 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -134.17 168.41 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.507 ' O ' HG21 ' A' ' 64' ' ' ILE . 7.8 tt -118.4 120.28 32.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HB2' ' NH2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 65' ' ' PRO . 4.7 mtm-85 -33.58 116.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -105.88 120.69 48.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.21 2.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.29 -36.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -123.95 91.68 49.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.35 -96.68 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.52 55.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.42 100.57 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.525 ' CG ' ' N ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -142.9 170.94 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.525 ' N ' ' CG ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -140.6 151.47 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.671 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 20.5 m0 -121.03 148.0 44.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 41.4 m -117.68 141.5 48.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.84 144.28 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.7 160.97 62.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 179.44 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 p -80.01 -55.63 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -16.6 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.65 -49.81 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -71.45 -17.73 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 86' ' ' MET . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 8' ' ' TYR . 41.0 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 50' ' ' SER . 4.7 m-85 -75.02 -29.66 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 13' ' ' THR . 13.3 tt -40.6 -29.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -74.79 -51.87 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 11.1 mp -58.91 -29.06 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 3.2 mp -77.47 -56.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.537 HG23 ' CZ ' ' A' ' 87' ' ' PHE . 3.2 p -44.13 -35.68 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.1 ttp -80.4 -42.23 23.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . . . -58.53 -35.91 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.01 -49.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD22 ' CZ ' ' A' ' 87' ' ' PHE . 2.1 mm? -55.9 -31.8 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.81 -17.59 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 p -127.55 68.16 73.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.04 -4.31 15.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.45 -89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 173.32 64.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.12 146.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 25' ' ' THR . 10.5 mt -144.38 169.27 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 36.6 p -156.09 100.24 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.1 tp -45.37 -41.49 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -54.49 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -28.0 72.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CD1' HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.38 -44.11 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.6 t -62.32 -37.24 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.87 -37.2 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.25 -34.24 77.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.621 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.6 mt -81.69 -53.92 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -46.28 -43.38 15.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -48.57 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -58.64 -39.92 81.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -129.97 93.97 32.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -20.88 16.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.77 -28.87 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.32 -62.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -52.45 -32.22 38.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.74 -22.93 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.19 19.24 16.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -154.22 94.14 2.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 18.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 175.27 82.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 44.6 p-90 -125.92 31.41 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 2.0 tm0? -81.58 -48.3 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 77.7 m-20 -72.58 -39.94 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 3.3 m -47.7 -57.46 5.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -65.93 -42.75 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.565 ' NH1' ' CB ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -54.99 -31.6 61.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 9.0 t-80 -73.6 -56.67 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' ND2' ' HB ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -67.5 -14.51 63.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 2.2 tp -84.86 -58.37 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.565 ' CB ' ' NH1' ' A' ' 52' ' ' ARG . 15.9 p -77.36 -51.16 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -80.92 83.6 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.17 -64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -67.9 -49.34 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 80.57 63.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -126.39 -164.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 4.4 m -120.11 157.91 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.27 173.68 11.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' O ' HG21 ' A' ' 64' ' ' ILE . 1.1 tt -116.4 121.66 33.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 18.5 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.17 110.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.22 159.95 30.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 74.97 3.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.44 44.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 1.6 m120 -119.42 78.5 19.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.03 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.98 -57.93 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -142.51 60.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -120.47 71.79 0.35 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.535 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.7 p-10 -135.36 175.42 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -151.25 154.15 36.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.494 ' HH2' ' CD ' ' A' ' 52' ' ' ARG . 16.6 m0 -119.79 173.56 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.492 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 43.2 m -142.5 138.67 31.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.71 167.43 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 159.05 30.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.0 92.06 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.6 mt-30 165.39 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -81.63 -55.19 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.68 -28.4 55.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.04 -45.23 82.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mtm -54.75 -37.14 65.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 13' ' ' THR . 4.4 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.704 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 9.6 t80 -83.77 -31.82 25.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 10' ' ' ALA . 6.2 tp -40.69 -28.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -73.17 -53.79 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' A' ' 37' ' ' PHE . 3.3 mp -54.3 -41.81 69.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 8' ' ' TYR . 15.9 mm -67.91 -48.63 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 87' ' ' PHE . 1.9 m -41.13 -45.91 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 13.7 ttp -79.69 -33.31 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -58.85 -35.16 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.5 mm -81.95 -50.02 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.32 -48.62 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.2 pp0? -43.65 -31.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 p -116.71 76.91 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 37.91 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -118.32 -11.03 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 64.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.79 111.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -155.99 168.79 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 75' ' ' ASN . 30.3 p -120.38 131.37 54.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -52.54 -41.17 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -59.3 -57.62 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.2 -41.19 78.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -61.32 -56.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.61 -38.4 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CE2' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -69.81 -21.8 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 32' ' ' PHE . 29.7 mm -80.94 -54.74 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 19.8 m -55.88 -46.14 78.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.09 -40.32 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -76.63 -50.28 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CE1' HD23 ' A' ' 11' ' ' LEU . 3.0 m-85 -122.1 107.73 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -45.72 -41.02 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.6 m-30 -68.13 -37.55 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.34 -17.89 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.7 mttm -70.9 -56.94 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 3.6 t80 27.86 62.19 0.65 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -21.24 16.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.783 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -179.51 54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.704 ' CZ3' ' CD1' ' A' ' 8' ' ' TYR . 3.2 m95 -72.15 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' TRP . 1.4 tt0 -36.42 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' TRP . 10.0 m-20 -78.68 -56.27 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 1.1 t -65.07 -30.25 71.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 20.9 mt -68.21 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 6.3 mtt-85 -62.22 -16.13 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.549 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 46.7 t60 -80.86 -54.48 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 50' ' ' SER . 30.6 m120 -70.61 -24.34 62.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -81.65 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.421 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.9 p -70.87 -50.53 34.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -81.83 86.82 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.2 m120 154.28 -58.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.599 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 4.4 m-20 -68.26 -67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.599 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 96.59 56.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -117.81 -167.09 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 m -119.43 140.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.92 171.07 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.575 ' O ' HG21 ' A' ' 64' ' ' ILE . 6.9 tt -118.09 129.95 25.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.86 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -80.56 166.71 37.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.04 55.22 3.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.13 53.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -115.1 87.11 14.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.1 Cg_endo -75.04 52.46 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.753 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.94 -52.53 0.85 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -145.02 68.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -132.13 76.8 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 6.7 p30 -122.74 179.44 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER -143.11 141.08 31.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.594 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.6 m0 -125.82 151.66 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 55.3 m -139.3 125.03 19.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.562 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 1.5 tt -114.85 153.56 30.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.562 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -73.01 149.85 89.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -177.64 35.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 7.6 t -72.24 -54.47 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 -25.03 58.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -71.06 -49.36 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.5 ' HE2' ' CE2' ' A' ' 87' ' ' PHE . 2.1 ptt? -72.78 -21.35 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 86' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD2' ' HA ' ' A' ' 51' ' ' ILE . 5.5 t80 -82.54 -21.63 35.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 13' ' ' THR . 8.1 tt -47.95 -47.53 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -64.56 -57.94 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 40' ' ' TYR . 13.1 mt -50.46 -31.53 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.571 HD12 ' CE2' ' A' ' 8' ' ' TYR . 8.8 mm -68.55 -55.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 43.8 p -45.22 -40.65 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 32' ' ' PHE . 2.2 ptt? -82.01 -22.38 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 11' ' ' LEU . . . -69.63 -42.86 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -79.3 -39.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 13' ' ' THR . 1.7 mp -59.55 -40.58 87.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.494 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -63.32 -25.87 68.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 65.4 p -122.02 70.06 29.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.494 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -10.73 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mppt? 70.06 58.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 179.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.05 160.71 39.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 75' ' ' ASN . 2.3 m -114.96 128.33 56.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -53.81 -52.93 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 p -48.43 -51.37 27.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.66 95.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -62.67 -45.23 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.0 t -55.5 -48.42 74.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.44 -26.92 68.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE2' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -77.6 -24.25 49.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 8' ' ' TYR . 33.8 mm -80.89 -53.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' PHE . 59.3 p -60.62 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.24 -35.03 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 3.8 mmt-85 -72.41 -41.32 66.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 36' ' ' ARG . 30.2 m-85 -132.49 125.11 19.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.8 10.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.685 ' CE2' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -56.15 -43.48 78.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE1' ' CE2' ' A' ' 39' ' ' TYR . 11.5 m-85 -65.0 -41.58 95.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.46 -42.11 77.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.68 -15.49 51.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.742 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -120.07 56.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 4.0 t80 -113.52 61.75 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.97 -18.88 18.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -179.58 52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 3.2 m95 -71.86 -46.71 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -44.96 -33.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.433 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 28.0 m-20 -82.56 -48.61 10.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . 26.8 t -63.03 -32.69 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.647 ' HA ' ' CD2' ' A' ' 8' ' ' TYR . 7.1 pt -73.75 -56.6 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.6 mpp_? -61.76 -18.45 59.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' LEU . 50.7 t-80 -82.11 -56.6 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' SER . 34.1 m120 -71.9 -19.18 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.556 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -81.93 -56.01 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 51.1 p -76.98 -51.7 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -79.82 77.43 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 166.4 -59.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.9 m-20 -66.9 -57.39 7.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.19 55.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -122.61 -163.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.43 151.11 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -129.56 173.41 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.486 ' O ' HG21 ' A' ' 64' ' ' ILE . 1.2 tp -116.96 119.54 35.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tpt85 -35.46 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tp10 -105.89 133.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.28 2.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.566 1.824 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.14 -53.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.65 114.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.07 -97.4 0.17 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -142.73 56.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.57 93.82 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.674 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 17.8 p-10 -122.47 -158.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER -158.92 140.08 13.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CD1' ' ND2' ' A' ' 75' ' ' ASN . 10.7 m0 -125.65 136.83 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 94.1 m -121.19 132.1 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 2.1 tt -116.61 151.47 36.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 8.3 t70 -68.65 146.31 97.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.06 86.92 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 163.71 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.418 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 3.4 p -78.97 -35.75 42.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.47 -36.26 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.48 -56.53 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 83' ' ' SER . 25.8 ptt? -57.61 -33.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 64.5 m-85 -81.09 -47.5 13.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -39.45 -33.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -64.07 -54.22 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 2.9 mm? -59.39 -29.84 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.55 -51.9 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 48.2 m -52.4 -39.84 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 10.0 ttp -79.76 -22.11 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -74.49 -36.9 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.408 HG13 ' OD2' ' A' ' 59' ' ' ASP . 27.5 mm -81.61 -37.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 17' ' ' LEU . 3.9 mm? -68.93 -52.4 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' MET . 1.1 pp0? -51.02 -24.79 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.4 p -119.48 74.26 16.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 40.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.8 OUTLIER -119.87 -13.93 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.91 61.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.88 105.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -148.58 165.81 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -114.9 132.6 56.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -52.97 -45.19 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.507 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 23.0 t -59.25 -55.34 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -33.65 61.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 30' ' ' CYS . 1.2 mp -67.41 -52.35 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 39.0 t -54.08 -33.33 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.01 -33.71 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.38 -33.44 71.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' CE2' ' A' ' 32' ' ' PHE . 5.9 mt -75.63 -58.48 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -46.2 -32.22 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.26 -37.57 72.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -76.39 -37.68 56.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -125.71 108.49 25.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.38 14.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -71.22 -38.49 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.816 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -58.81 -45.14 90.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -70.56 -9.14 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.71 -51.37 8.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.0 tptt -78.47 -53.92 6.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 0.5 OUTLIER 26.25 65.34 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 50' ' ' SER . . . -178.78 47.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.816 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.1 m95 -70.87 -5.08 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -69.32 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.459 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -76.46 -31.14 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 1.7 p -48.89 -54.28 16.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 55' ' ' LEU . 6.4 pt -77.26 -50.4 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 57' ' ' LEU . 53.8 t-80 -80.3 -58.73 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.52 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 27.7 m120 -65.61 -11.51 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.622 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -86.07 -59.62 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.28 -47.69 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.12 87.69 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.1 m120 155.38 -49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.4 m-20 -80.71 -61.31 2.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.6 t 95.43 61.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 55' ' ' LEU . 1.8 p90 -126.23 -160.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.34 165.77 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -174.59 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 13.4 mm -122.49 109.29 32.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.06 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' PRO . 5.7 mtm-85 -33.45 103.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -127.9 176.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 63.85 6.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 175.05 49.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 7.0 m-20 -132.58 64.19 70.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 70.83 5.18 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.45 -65.9 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -142.64 58.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -117.74 126.45 6.91 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.9 p-10 -162.57 -178.36 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 12.9 m-85 -150.51 138.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.622 ' CZ3' ' HG ' ' A' ' 55' ' ' LEU . 11.1 m0 -124.23 136.93 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.3 m -118.15 135.44 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 3.6 tt -119.14 157.21 28.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.19 155.5 46.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -75.05 90.46 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.9 mt-30 165.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 60.6 p -81.07 -41.86 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.7 -57.04 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 59' ' ' ASP . 22.8 ttp -71.42 -36.59 71.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CD2' ' O ' ' A' ' 83' ' ' SER . 11.2 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 43.9 m-85 -51.21 -27.65 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 10' ' ' ALA . 8.0 pt -61.2 -36.49 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -70.25 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' CG ' ' HA ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -47.97 -34.33 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 55' ' ' LEU . 4.9 mm -69.94 -53.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 6.4 tmm? -80.43 -36.17 34.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -60.94 -28.57 69.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' CG1' HD11 ' A' ' 79' ' ' LEU . 1.6 mp -85.31 -49.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.0 -39.65 82.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.38 -26.04 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.6 p -120.8 73.37 23.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 -4.81 15.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.05 -8.68 47.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 70.48 57.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.66 112.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -149.63 160.14 43.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.2 p -118.24 127.01 53.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 1.9 tm? -50.74 -53.28 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 73' ' ' LYS . 24.9 t -50.38 -52.21 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.07 -31.66 81.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.3 mp -65.71 -45.53 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' SG ' ' CH2' ' A' ' 47' ' ' TRP . 17.7 t -61.12 -38.62 86.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -64.51 -39.49 93.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.34 -32.48 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.5 mt -75.95 -26.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' PHE . 54.6 p -71.59 -43.87 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.36 -44.71 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 3.7 mmt180 -67.84 -32.45 72.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -130.14 105.13 16.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 8.0 p90 -57.5 -30.53 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 3.1 t80 -61.89 -49.97 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -75.93 -6.82 52.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 1.8 mt-10 -81.54 -46.97 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.5 tptp -80.2 -48.07 13.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 35.85 72.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 31.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 75.22 57.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 8.7 p-90 -94.07 26.48 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.17 -66.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -73.07 -18.87 61.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.3 m -64.53 -56.48 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -68.32 -37.11 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.476 ' NE ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -71.21 -59.2 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.491 ' CB ' ' HB2' ' A' ' 8' ' ' TYR . 2.8 m-20 -65.78 -14.82 62.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 12' ' ' ILE . 3.0 tp -81.98 -54.32 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.65 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 84.1 p -71.56 -53.29 14.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 87.27 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.57 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.8 m-20 -78.77 -48.36 14.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER 89.9 75.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CD2' HD13 ' A' ' 79' ' ' LEU . 8.8 p90 -136.35 -163.95 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.426 HG21 ' HB ' ' A' ' 78' ' ' THR . 32.2 m -123.44 163.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -177.7 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.6 mm -117.5 123.65 29.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 -160.58 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 58.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.767 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 1.5 tt0 -141.22 43.15 0.51 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HD3' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.02 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.76 5.08 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 68' ' ' PRO . 5.7 p30 -135.31 137.92 27.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.2 -164.89 34.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.416 ' O ' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -96.67 40.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.52 127.07 8.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.637 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 30.9 p30 -141.94 -164.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 13.8 m-85 -147.7 143.1 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.1 m0 -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.426 ' HB ' HG21 ' A' ' 62' ' ' VAL . 72.8 m -116.99 142.77 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.653 HD13 ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -120.54 162.51 19.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.438 ' O ' HD21 ' A' ' 79' ' ' LEU . 3.7 t70 -81.67 144.76 53.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.02 81.52 2.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.1 mt-30 163.66 43.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 90.3 p -72.94 -53.36 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.55 -53.52 56.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.13 -41.51 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 33.2 ttp -62.42 -54.19 43.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 23.4 m-85 -82.12 -20.17 38.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -48.07 -43.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG1' ' A' ' 13' ' ' THR . . . -65.05 -52.01 58.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 37' ' ' PHE . 45.3 mt -54.31 -37.82 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 55' ' ' LEU . 1.1 mp -68.6 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 87' ' ' PHE . 1.6 p -41.6 -33.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 11.6 ttp -79.9 -40.71 27.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -59.71 -26.66 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG2' HD11 ' A' ' 79' ' ' LEU . 31.0 mm -84.08 -56.47 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 13' ' ' THR . 0.8 OUTLIER -55.03 -45.62 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -47.5 -40.27 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 31.0 p -68.35 108.59 2.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 -4.18 15.02 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.1 33.72 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 29.66 64.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 19' ' ' SER . 13.5 ttmt -174.65 142.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 29' ' ' ILE . 2.1 pt? -157.98 167.5 29.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.49 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 6.9 m -121.74 143.07 49.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.9 tm? -59.12 -56.38 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.6 p -47.68 -55.83 8.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.94 -34.97 81.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.528 HD11 ' N ' ' A' ' 29' ' ' ILE . 1.1 mp -63.68 -53.32 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' N ' HG21 ' A' ' 29' ' ' ILE . 30.3 t -48.96 -42.93 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -73.12 -22.35 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 32' ' ' PHE . 37.8 mm -80.44 -43.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 43.5 p -69.16 -57.64 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.2 -46.81 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 10.0 mmm180 -64.03 -54.28 36.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE1' HD23 ' A' ' 11' ' ' LEU . 39.5 m-85 -118.0 119.84 33.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -54.4 -38.95 66.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.79 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.5 m-30 -64.99 -36.82 85.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 4.2 ttt180 -79.97 -22.33 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.82 -58.91 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' PHE . 5.6 mtmt -71.61 -53.72 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.643 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.6 t80 23.37 62.1 0.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -25.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' SER . . . 176.26 59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CH2' ' CG ' ' A' ' 40' ' ' TYR . 18.6 m95 -80.44 -11.88 59.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.002 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.8 tt0 -62.8 -55.43 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.48 -36.25 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -58.38 -52.39 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 52' ' ' ARG . 1.2 tp -69.81 -52.07 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.4 mtt180 -56.9 -28.18 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 76.0 t60 -74.88 -58.09 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -66.86 -14.77 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 61' ' ' PHE . 10.3 tp -84.13 -55.16 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.02 -51.64 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.964 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 mm? -80.55 91.37 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 151.17 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 6.9 m-20 -81.19 -41.63 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 47.3 m 67.52 74.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -128.96 -145.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 33.3 m -134.86 156.25 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -136.98 177.27 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -119.09 113.56 35.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -75.04 178.58 7.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' PRO . 11.1 tpt180 -37.55 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -128.54 164.47 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.96 -76.68 1.05 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -138.81 129.02 14.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.41 -88.26 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 61.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.5 114.26 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -141.16 -173.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -147.8 129.12 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.638 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 12.0 m0 -121.7 140.25 52.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 108.035 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 52.6 m -130.72 139.69 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 80' ' ' ASP . 8.3 tt -115.79 156.49 25.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.498 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.2 m-20 -68.67 157.41 88.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -165.15 37.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.434 ' HA ' ' SD ' ' A' ' 86' ' ' MET . 2.1 t -79.48 -31.47 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -33.7 28.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -55.02 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 83' ' ' SER . 3.3 ptm -62.32 -11.56 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.538 ' OH ' ' CE2' ' A' ' 44' ' ' PHE . 4.1 m-85 -58.21 -25.03 61.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -50.57 -40.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -66.04 -55.72 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.64 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -49.73 -35.96 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG2' HD11 ' A' ' 55' ' ' LEU . 1.1 mp -73.08 -41.07 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 18.4 m -51.43 -48.69 62.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 18.2 ptm -74.08 -30.32 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -65.14 -31.69 73.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 79' ' ' LEU . 32.6 mm -79.84 -49.66 18.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' N ' HD21 ' A' ' 17' ' ' LEU . 4.4 mm? -58.26 -27.75 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -56.91 -28.09 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.442 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 18.6 p -111.37 95.08 24.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 14.96 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -114.5 13.19 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 40.14 59.02 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 112.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -144.6 173.71 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 p -111.96 123.82 51.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -48.08 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -60.42 -51.17 70.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.1 -45.08 83.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.84 -44.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -35.22 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.34 -39.78 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.3 -30.56 71.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.584 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 2.3 mt -79.2 -57.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -33.81 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 5.6 mmm180 -63.71 -31.02 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE1' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -137.76 88.47 16.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 9.8 p90 -73.88 -28.07 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -63.86 -50.15 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -63.56 -20.1 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.29 -40.48 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.97 10.38 41.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CE2' ' OH ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -148.53 71.14 10.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.76 3.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.26 63.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CZ3' HD11 ' A' ' 51' ' ' ILE . 4.2 m95 -107.33 12.87 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 1.1 tm0? -78.48 -71.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -75.84 -29.85 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -53.9 -56.14 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.601 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 3.8 tp -70.67 -47.82 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.49 -37.19 56.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CE1' HD21 ' A' ' 57' ' ' LEU . 37.2 t-80 -66.91 -58.3 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 34.2 m120 -67.1 -12.03 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' CZ3' ' A' ' 77' ' ' TRP . 20.9 tp -85.02 -57.86 2.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -78.02 -50.58 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD21 ' CE1' ' A' ' 53' ' ' HIS . 5.2 tt -76.56 77.9 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.93 -51.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 21.6 m-20 -80.15 -45.44 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m 68.88 65.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -118.78 -160.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.414 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 92.9 t -119.65 147.96 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 164.33 30.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 65' ' ' PRO . 1.4 pp -118.16 129.03 25.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' O ' HD11 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -48.02 92.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.5 mt-10 -87.74 165.03 32.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 58.26 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 36.95 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -125.38 79.31 66.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.29 -76.31 1.0 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 54.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -106.28 69.81 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 34.7 p-10 -109.68 166.07 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 64' ' ' ILE . 8.7 m-85 -133.91 140.33 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.612 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 9.5 m0 -125.59 138.49 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 20.1 m -120.26 152.02 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -117.0 152.05 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.65 165.94 32.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.83 4.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 86' ' ' MET . 23.0 tt0 -175.09 36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 41.5 t -78.66 -52.18 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.89 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -41.86 71.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 49.1 ttp -65.66 -56.71 10.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 5.0 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.532 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.5 m-85 -63.4 -50.67 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.91 -47.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 37' ' ' PHE . 4.5 mm? -58.61 -33.9 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 8' ' ' TYR . 2.7 mm -66.1 -57.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.552 ' OG1' ' CE1' ' A' ' 87' ' ' PHE . 16.2 m -43.09 -49.73 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.7 ptm -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -79.2 -55.63 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 79' ' ' LEU . 36.2 mm -54.18 -35.51 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -64.97 -12.16 46.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 8.2 mm100 -71.38 -35.68 71.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 24.1 p -126.11 66.33 59.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.04 53.96 3.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 13.1 tt0 -138.96 -78.23 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 172.52 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -179.93 133.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' C ' ' HB2' ' A' ' 77' ' ' TRP . 8.8 tp -156.75 172.45 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -157.94 117.94 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -50.08 -52.5 34.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 p -47.83 -46.85 31.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.47 85.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -66.1 -59.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 2.0 t -49.6 -39.27 34.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -34.03 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -80.82 -17.18 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 32' ' ' PHE . 30.9 mm -81.55 -56.18 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -57.97 -35.38 71.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.55 -48.58 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -74.63 -37.17 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 11' ' ' LEU . 14.8 m-85 -135.86 96.94 12.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD1' ' A' ' 40' ' ' TYR . 20.3 p90 -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.688 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -55.17 -46.44 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -33.85 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.71 -25.32 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -31.72 41.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -144.91 102.19 4.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.82 67.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 4.5 m95 -106.2 13.02 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.953 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CG ' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -76.08 -77.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 50' ' ' SER . 5.9 p30 -64.8 -29.91 70.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.585 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 1.9 m -58.76 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 33' ' ' ILE . 4.2 tt -64.38 -46.54 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 52' ' ' ARG . 1.1 tmm_? -51.78 -41.28 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.09 -54.58 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.606 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.39 -11.59 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD11 ' CZ3' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -83.07 -60.48 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -74.24 -49.32 23.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -78.76 75.97 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 169.74 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 72.6 m-20 -80.02 -56.88 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.9 m 89.08 72.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 1.1 p90 -127.45 -167.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -119.33 138.83 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -122.83 -179.61 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 10.0 mm -119.59 118.67 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -36.43 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' PRO . 18.6 tt0 -107.6 141.54 23.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.01 61.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.51 -58.8 0.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.5 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -137.81 121.16 11.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.37 -91.4 0.14 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 56.33 1.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.56 108.87 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 77' ' ' TRP . 20.8 p-10 -135.73 -168.38 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.532 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -141.77 143.5 33.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.667 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.0 m0 -131.02 144.13 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 28.8 m -132.57 128.29 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.406 ' CD1' HD13 ' A' ' 16' ' ' ILE . 2.7 tt -117.22 155.3 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.06 148.14 88.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 80.34 2.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.32 40.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.2 p -74.91 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -48.78 -30.6 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.02 -41.45 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.568 ' HE3' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 tmm? -59.03 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 86' ' ' MET . 61.8 m-85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 8' ' ' TYR . 9.7 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' N ' ' OG ' ' A' ' 7' ' ' SER . 31.4 m-85 -80.51 -24.16 39.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -40.9 -38.62 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.422 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.78 -52.13 65.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD23 ' CE2' ' A' ' 37' ' ' PHE . 15.1 mt -60.2 -34.3 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.521 HG22 ' CD2' ' A' ' 55' ' ' LEU . 19.7 mm -64.62 -60.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.653 ' CG2' ' CE1' ' A' ' 87' ' ' PHE . 22.7 p -45.71 -37.06 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 37.4 ttp -79.33 -29.31 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -67.74 -35.12 78.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 HD11 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -83.84 -48.04 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 17' ' ' LEU . 3.9 mm? -56.21 -51.19 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.1 pp0? -47.7 -28.6 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -118.71 75.93 13.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 5.28 4.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -9.38 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 66.97 58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER 179.23 105.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -141.2 160.2 40.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 51.9 p -115.3 122.48 46.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.0 tm? -46.72 -44.15 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 88.7 p -57.02 -56.53 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.66 -35.32 66.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -64.7 -51.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.422 ' SG ' ' CZ3' ' A' ' 47' ' ' TRP . 51.8 t -50.32 -45.53 54.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.252 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.76 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -23.87 60.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 29' ' ' ILE . 26.3 mm -77.4 -57.29 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 p -55.2 -46.51 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -50.88 -45.22 59.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -67.58 -51.1 54.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' HD23 ' A' ' 11' ' ' LEU . 2.6 m-85 -124.74 100.8 33.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 46.1 p90 -55.72 -37.3 68.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 2.1 t80 -54.23 -40.89 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.72 -35.14 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.39 -11.38 60.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 2.5 tmtt? -105.6 -36.02 7.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.663 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 2.3 t80 -141.09 68.37 27.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . -178.35 61.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.629 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -111.72 21.18 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 tt0 -54.7 -63.5 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' OD1' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.03 -27.62 48.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -60.13 -54.92 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -69.7 -49.25 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.0 mpp_? -50.56 -50.77 52.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 42.4 t-80 -55.71 -58.31 8.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.21 -13.06 15.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.521 ' CD2' HG22 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -82.71 -59.97 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -74.05 -51.55 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 3.9 mm? -71.8 66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 169.46 -55.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.615 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.1 m-20 -75.49 -45.23 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 13.2 m 70.44 60.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.615 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -121.91 -163.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.46 151.86 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -138.66 160.88 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 76' ' ' TYR . 12.2 tt -116.57 134.24 22.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.88 115.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 9.6 mm-40 -98.56 149.59 35.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.27 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.95 -61.5 6.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.97 100.97 6.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.3 Cg_endo -74.94 -96.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 20.52 -91.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' PRO . 23.0 mtpt -139.36 41.11 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.4 122.36 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.0 p-10 -149.49 172.04 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -132.98 140.0 47.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 10.1 m0 -130.13 133.67 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.593 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 56.7 m -117.47 129.45 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 5.2 tt -115.35 152.19 33.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.27 148.27 83.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -74.98 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 170.76 37.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' MET . 85.3 p -82.08 -52.9 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -55.04 -26.17 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.76 -40.48 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -60.18 -51.75 68.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.5 m-85 -56.08 -37.18 68.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.555 HG13 ' N ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -40.01 -36.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -82.61 -54.91 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' MET . 5.9 mt -47.07 -33.27 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' A' ' 55' ' ' LEU . 46.8 mm -79.87 -44.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.447 HG22 ' CG ' ' A' ' 87' ' ' PHE . 1.2 m -45.16 -44.87 11.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 7.6 ptt? -82.05 -37.34 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -56.14 -32.27 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 79' ' ' LEU . 24.1 mm -86.26 -51.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.75 -40.9 73.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp0? -40.05 -37.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -74.67 112.77 18.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.94 -0.26 9.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -120.72 19.59 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 35.4 54.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' C ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -165.05 136.05 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 77' ' ' TRP . 1.7 pt? -170.21 -177.28 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 p -117.57 135.4 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -48.9 -46.12 42.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 31.1 t -48.72 -49.76 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -27.39 58.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.41 -49.75 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.403 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -50.44 -43.36 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.31 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 13.7 t80 -62.18 -31.33 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.513 HD12 ' CD2' ' A' ' 32' ' ' PHE . 49.5 mm -82.32 -44.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -59.26 -55.82 29.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -48.96 -34.06 12.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -72.81 -52.76 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.13 122.32 32.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -36.75 66.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 3.0 m-85 -64.44 -40.25 95.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.03 -23.51 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -58.0 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' PHE . 8.5 ttpt -69.49 -56.33 7.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 1.2 t80 31.46 64.69 1.05 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.05 14.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . . . 174.85 54.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 5.4 m95 -70.33 -3.54 17.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -67.76 -75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 50' ' ' SER . 21.1 p30 -75.02 -28.52 60.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 41.5 t -57.39 -57.58 12.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 5.3 mt -64.58 -53.85 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -49.56 -38.3 30.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.655 ' CE1' ' CD2' ' A' ' 57' ' ' LEU . 6.7 t60 -61.46 -56.5 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 28.6 m120 -69.58 -8.51 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' CD2' HG22 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -83.13 -57.95 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -82.02 -48.58 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.024 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.655 ' CD2' ' CE1' ' A' ' 53' ' ' HIS . 1.3 tp -68.72 79.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.8 m120 160.44 -49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.583 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -79.37 -64.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.8 t 95.34 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -117.79 -163.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.48 154.39 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 179.49 6.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.3 mm -119.8 118.55 31.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 -171.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PRO . 6.1 mt-10 -113.12 166.68 10.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.72 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.75 -75.78 1.17 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -139.76 124.82 11.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.58 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.54 -93.56 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.14 55.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.51 137.02 9.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -162.0 -165.75 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 35.9 m-85 -135.4 144.67 46.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 7.2 m95 -137.74 142.48 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 59.1 m -140.89 137.48 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -120.11 147.09 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -92.08 164.07 24.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.35 3.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 83' ' ' SER . 10.3 pt20 -121.91 -39.86 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 15.3 t -52.95 -43.33 66.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.79 -53.31 59.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.29 -37.72 84.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -60.3 -43.42 96.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CG ' HG22 ' A' ' 13' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.514 ' O ' ' CD1' ' A' ' 12' ' ' ILE . 8.6 m-85 -52.38 -31.24 32.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -58.97 -36.54 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.73 -41.63 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.5 mp -64.99 -48.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.588 HG22 ' CD1' ' A' ' 87' ' ' PHE . 22.0 m -50.1 -37.27 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ttp -79.95 -28.14 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.39 -29.02 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.7 tp -87.42 -32.8 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' N ' HG21 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -75.8 -34.57 60.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp0? -52.13 -37.6 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -74.23 110.82 10.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 -3.83 14.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.78 29.23 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 21' ' ' GLN . 1.4 mppt? 34.77 60.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' C ' HD21 ' A' ' 24' ' ' LEU . 7.5 tttt -165.81 137.1 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 77' ' ' TRP . 1.7 pt? -161.43 172.05 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.6 p -121.81 123.93 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -45.56 -42.07 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.528 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 4.6 m -65.49 -56.88 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.61 52.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 1.2 mp -69.13 -46.1 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.34 57.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.96 -41.72 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.94 -29.1 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.609 HG13 ' CE2' ' A' ' 32' ' ' PHE . 3.6 mt -82.29 -55.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 p -45.08 -33.27 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.952 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.65 -47.27 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -66.79 -57.36 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 1.1 m-85 -102.51 110.5 63.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.94 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 40' ' ' TYR . 50.2 p90 -53.69 -33.47 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -61.01 -40.2 92.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -75.81 -17.58 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.2 mm-40 -72.51 -50.66 24.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -76.66 -50.33 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' TRP . 3.4 t80 16.73 64.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.04 -16.42 20.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 50' ' ' SER . . . 169.84 57.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.3 m95 -77.26 6.53 6.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 46' ' ' ALA . 1.3 tt0 -78.48 -76.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 50' ' ' SER . 22.6 p30 -74.94 -27.19 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 18.2 t -52.47 -58.1 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.624 HG13 ' N ' ' A' ' 52' ' ' ARG . 3.2 pt -71.96 -47.61 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.624 ' N ' HG13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -47.92 -35.55 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.9 t60 -72.81 -54.98 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -65.4 -10.93 37.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.85 -59.74 2.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.489 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 7.0 t -76.04 -50.43 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 4.9 mp -74.29 78.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.495 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.8 m120 157.23 -52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -73.46 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER 92.73 52.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.517 ' CD2' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -121.49 -169.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.45 146.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.37 -179.26 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.39 119.33 31.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.49 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.76 163.54 34.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.49 4.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.57 -75.95 1.32 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.532 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -135.79 139.31 30.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -80.57 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 53.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.85 118.86 6.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.426 ' ND2' HD22 ' A' ' 26' ' ' LEU . 8.8 p-10 -164.78 162.33 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -129.67 148.46 51.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.643 ' CZ3' ' HG2' ' A' ' 63' ' ' LYS . 10.6 m95 -134.31 129.54 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 44.1 p -125.05 132.97 53.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -116.3 156.73 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -66.7 146.41 99.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.95 3.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 177.78 35.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 13.6 p -81.61 -34.33 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -51.95 55.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.58 -31.66 64.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -48.18 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.588 ' CD1' HG22 ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.534 ' CD2' HG21 ' A' ' 51' ' ' ILE . 45.1 m-85 -87.7 -8.77 55.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' THR . 2.2 pp -38.98 -43.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -60.14 -50.89 71.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.626 HD12 ' CE1' ' A' ' 37' ' ' PHE . 7.0 mt -59.81 -33.18 71.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' O ' HD11 ' A' ' 16' ' ' ILE . 20.3 mm -65.07 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.548 HG21 ' CE1' ' A' ' 87' ' ' PHE . 25.3 p -45.18 -38.52 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 22.8 ttp -78.54 -27.09 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -70.76 -36.71 73.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.497 HD13 ' CD2' ' A' ' 24' ' ' LEU . 1.9 mp -81.75 -33.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -75.44 -44.87 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.0 pp0? -60.96 -15.4 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 p -124.66 68.35 52.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 -9.99 20.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.81 -5.91 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.88 74.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.73 118.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' CD2' HD13 ' A' ' 16' ' ' ILE . 2.7 mp -123.52 175.62 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -166.88 114.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.616 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.6 tm? -45.58 -42.67 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 33.3 p -57.06 -51.47 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.45 -28.12 71.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.33 -59.03 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.09 -35.91 67.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.07 -23.34 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -31.55 37.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 37' ' ' PHE . 25.7 mt -80.92 -55.15 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.8 p -43.72 -38.78 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.39 -35.26 62.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 4.8 mmt180 -78.35 -40.78 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CE1' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.01 106.87 20.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.69 -40.74 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -61.32 -40.64 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.95 -16.11 58.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -45.59 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -44.81 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.484 ' C ' ' H ' ' A' ' 46' ' ' ALA . 17.1 t80 52.78 73.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 34.52 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 65.64 57.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE3' HD11 ' A' ' 51' ' ' ILE . 9.4 p-90 -90.33 -5.55 56.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -55.38 -37.48 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 26.9 m-20 -78.69 -31.32 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.438 ' CB ' ' CE1' ' A' ' 8' ' ' TYR . 10.9 m -61.93 -54.36 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.606 HD11 ' CE3' ' A' ' 47' ' ' TRP . 2.5 pt -65.37 -57.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' NH2' ' CD1' ' A' ' 26' ' ' LEU . 32.3 mtt180 -50.07 -38.64 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 20.6 t-80 -67.59 -56.69 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -63.62 -10.64 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD11 ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -82.46 -57.33 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -51.12 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.3 mm? -74.21 77.28 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.02 -52.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -80.07 -63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 91.32 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CD2' HD11 ' A' ' 79' ' ' LEU . 3.3 p90 -125.77 -158.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -116.6 162.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.44 167.16 26.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.455 ' O ' HG21 ' A' ' 64' ' ' ILE . 1.3 tt -116.0 122.39 32.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -177.2 3.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -43.61 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.92 162.27 52.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.31 4.35 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.91 53.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 2.6 m120 -115.43 89.45 21.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.73 4.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.23 -55.92 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.53 59.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -113.09 67.4 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 3.2 p-10 -138.47 170.21 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.492 ' C ' ' HD1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -154.95 153.95 31.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CZ2' ' HB2' ' A' ' 26' ' ' LEU . 29.2 m0 -116.86 176.26 5.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.9 m -143.78 144.72 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.613 HD11 ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -119.92 159.93 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 156.55 55.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.97 84.63 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER 166.66 43.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.5 t -77.19 -45.98 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.18 -49.3 76.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.47 94.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.44 ' HE2' ' CZ ' ' A' ' 87' ' ' PHE . 19.8 ttp -62.23 -45.25 94.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.4 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 84.9 m-85 -82.82 -27.18 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.461 HD11 ' C ' ' A' ' 9' ' ' ILE . 1.2 pp -46.38 -43.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.26 86.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 9.8 mt -61.61 -23.95 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm -78.6 -57.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 22.2 p -46.69 -34.59 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -83.08 -38.51 22.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.34 -38.52 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 79' ' ' LEU . 39.6 mm -81.6 -52.3 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -50.78 -44.89 58.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.33 -27.87 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 76.0 p -115.34 86.18 14.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -89.38 16.59 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 34.66 68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -178.96 112.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -157.07 174.25 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.552 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 54.5 m -120.36 128.09 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.584 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -51.19 -44.42 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.404 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -57.99 -56.23 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.52 -26.22 56.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.2 mp -72.12 -49.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -55.43 -36.21 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.73 -36.77 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -67.25 -31.47 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' CE2' ' A' ' 32' ' ' PHE . 6.4 mt -74.22 -58.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -54.29 -27.58 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.43 -52.27 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 4.0 mmm180 -65.67 -57.5 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 16.5 m-85 -91.4 116.63 66.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.68 -42.36 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 15.6 m-85 -65.8 -33.02 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -71.5 -42.66 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -11.8 59.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 10.1 mttp -142.5 72.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -112.86 76.09 2.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -75.02 41.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 63.18 59.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CD1' ' CD1' ' A' ' 44' ' ' PHE . 36.2 p-90 -82.09 6.13 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.468 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.77 -45.18 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 89.9 m-20 -64.53 -37.77 88.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.585 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.3 m -66.55 -59.9 3.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.593 HG23 ' CE3' ' A' ' 47' ' ' TRP . 2.1 tp -51.61 -60.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' NH2' ' HB3' ' A' ' 56' ' ' SER . 0.0 OUTLIER -51.65 -46.82 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 5.7 t60 -54.8 -58.1 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' CG ' HG21 ' A' ' 9' ' ' ILE . 8.2 m-20 -66.87 -8.94 32.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.535 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -79.46 -52.25 8.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.667 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.6 -48.06 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.56 76.3 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.23 -59.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 10.6 m-20 -80.84 -58.16 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.91 76.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.667 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -131.61 -163.86 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -117.53 145.46 23.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.79 176.61 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 7.5 mm -118.2 105.03 47.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.97 158.94 42.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -24.64 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.6 mt-10 -120.11 170.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' OD1' ' A' ' 70' ' ' ASN . . . 158.9 40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 69' ' ' GLY . 3.0 m-20 -135.71 76.98 52.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.4 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.5 -73.63 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -143.88 61.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.81 76.21 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.552 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 11.9 p-10 -109.91 -169.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 56.7 m-85 -148.57 142.18 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.6 m95 -134.8 135.21 41.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.5 m -127.74 136.06 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.61 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 8.6 tt -118.24 167.93 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.61 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -78.53 143.56 63.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.31 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 168.78 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.418 ' HB2' HD23 ' A' ' 79' ' ' LEU . 43.1 t -80.22 -48.09 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -32.1 69.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.89 -43.02 99.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -51.29 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.51 ' CD1' HG21 ' A' ' 51' ' ' ILE . 40.7 m-85 -82.31 -22.15 35.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.465 ' CD1' ' OD1' ' A' ' 58' ' ' ASN . 3.7 tp -42.72 -38.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -67.44 -55.59 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.582 HD23 ' CZ ' ' A' ' 37' ' ' PHE . 41.9 mt -54.44 -35.89 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' CG1' HD11 ' A' ' 55' ' ' LEU . 1.6 mp -72.76 -39.41 59.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 23.8 m -52.76 -50.57 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 ptm -76.68 -23.92 53.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 11' ' ' LEU . . . -63.17 -39.44 94.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.492 HG12 ' CD1' ' A' ' 79' ' ' LEU . 1.7 mp -83.31 -38.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 1.5 mp -66.35 -50.0 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.514 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.6 pp0? -48.87 -27.81 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -117.37 73.14 7.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.514 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 -0.02 9.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 2.3 tt0 -69.6 -17.73 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 13.3 tttm 85.52 69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 2.8 mttt 179.28 128.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.3 mm? -127.54 170.37 12.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 53.2 p -155.81 99.71 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -40.04 -40.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -66.3 -52.11 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.08 76.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -70.87 -52.94 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -55.83 -36.82 67.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -42.48 65.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.62 -28.86 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 22.1 mm -80.74 -42.11 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -58.53 -49.93 75.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -39.42 78.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -72.13 -52.11 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CZ ' HD23 ' A' ' 11' ' ' LEU . 54.6 m-85 -119.25 106.66 42.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' GLU . 18.2 Cg_endo -75.02 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -50.4 -40.86 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -66.83 -43.41 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -15.71 55.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -76.23 -47.9 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.664 ' O ' ' N ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -112.53 31.15 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.4 t80 -20.48 82.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.98 39.91 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 58.6 59.45 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CZ3' HG23 ' A' ' 33' ' ' ILE . 5.4 p-90 -95.83 31.38 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 8.7 tt0 -74.58 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -22.24 62.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.511 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -58.68 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.51 HG21 ' CD1' ' A' ' 8' ' ' TYR . 38.9 pt -68.15 -47.01 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 56' ' ' SER . 0.0 OUTLIER -55.05 -33.43 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' LEU . 11.4 t-80 -68.93 -53.96 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -68.48 -12.12 60.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 8.9 tp -83.47 -56.84 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -82.02 -50.25 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -73.69 75.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 158.64 -47.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -80.74 -44.67 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.9 m 66.21 61.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -118.53 -159.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 78' ' ' THR . 7.4 t -120.04 149.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -137.0 169.7 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 4.6 tt -118.15 129.77 25.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.96 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -45.28 115.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 140.64 27.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.75 18.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 -58.19 14.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.11 114.8 7.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.4 Cg_endo -75.01 -92.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 17.16 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 71' ' ' PRO . 2.6 mtmp? -140.12 37.73 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.3 105.26 3.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.542 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.3 p-10 -157.6 163.06 38.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -151.79 148.35 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.536 ' CZ3' HD21 ' A' ' 55' ' ' LEU . 19.3 m0 -118.1 150.3 39.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.054 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.545 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m -121.11 138.6 54.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.1 tt -117.13 148.0 41.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -91.03 167.91 14.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.07 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 164.88 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -56.11 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -49.13 76.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.26 -40.07 84.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.9 -51.06 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 9.8 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 50' ' ' SER . 99.1 m-85 -63.52 -45.98 88.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' OD1' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -38.81 -47.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.63 -49.79 75.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 37' ' ' PHE . 3.5 mm? -59.24 -34.05 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.521 ' CD1' HG21 ' A' ' 51' ' ' ILE . 33.5 mm -69.24 -60.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 68.7 p -41.49 -38.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mmm -77.16 -37.03 54.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -64.91 -30.92 71.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.421 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 33.0 mm -86.06 -51.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 3.2 mp -55.6 -48.45 74.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.5 pp0? -48.97 -24.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 p -120.31 72.88 20.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.483 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -74.99 -5.36 16.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.4 tt0 -69.29 -94.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 174.72 69.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -178.79 127.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mm? -124.48 160.63 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.474 HG21 ' O ' ' A' ' 75' ' ' ASN . 15.3 m -154.13 113.02 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.0 tm? -55.3 -56.81 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -49.8 -52.13 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.953 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 -37.13 92.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 1.3 mp -63.74 -59.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.4 t -45.0 -41.0 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 108.258 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -44.37 86.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.11 -18.66 64.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 ' CE3' ' A' ' 47' ' ' TRP . 39.3 mm -79.97 -51.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.5 p -60.4 -50.58 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -45.16 81.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 7.4 mmm180 -66.73 -49.72 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE1' HD13 ' A' ' 11' ' ' LEU . 15.6 m-85 -127.33 118.72 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -51.21 -38.34 51.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.645 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 11.9 m-30 -62.35 -40.69 97.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -9.4 59.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -52.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 44' ' ' PHE . 1.3 ttmp? -78.44 -54.34 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 2.0 t80 26.38 62.94 0.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -75.0 -10.83 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' PRO . . . 163.47 55.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.7 m95 -76.51 -2.11 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.49 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.2 tm0? -79.0 -54.95 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.44 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.32 -38.64 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 8' ' ' TYR . 50.9 m -60.2 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 14.8 mm -53.72 -61.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 12.8 mtm-85 -48.86 -36.11 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' NE2' HD21 ' A' ' 57' ' ' LEU . 1.6 t-80 -65.04 -60.59 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.46 ' CB ' HG13 ' A' ' 12' ' ' ILE . 28.5 m-80 -67.16 -10.06 46.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.618 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.8 OUTLIER -82.95 -57.17 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.455 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.78 -49.77 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 HD21 ' NE2' ' A' ' 53' ' ' HIS . 1.9 tt -73.95 76.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 162.41 -62.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 27.2 m-20 -66.84 -60.8 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 87.12 55.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -118.11 -163.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m -116.78 151.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 3.7 mtmm -132.85 167.29 20.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.544 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 7.1 tt -114.68 121.03 36.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 116.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.33 163.88 16.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.25 3.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.95 46.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 1.4 m-20 -119.6 93.86 47.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.427 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.4 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.65 -41.19 2.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -144.14 65.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -133.81 74.99 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.648 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 33.7 p-10 -137.96 -173.35 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.648 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -161.91 151.98 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 21.3 m0 -119.95 175.81 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.994 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 39.1 m -145.58 124.03 12.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 4.5 tt -114.93 153.43 30.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.98 146.54 55.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HG3' ' CE ' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 78.37 2.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 179.31 40.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -80.26 -39.1 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.52 -45.09 81.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -42.4 92.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.19 -36.44 75.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 13' ' ' THR . 3.8 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CZ ' ' CZ2' ' A' ' 47' ' ' TRP . 4.9 m-30 -45.51 -44.0 12.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.524 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.8 pt -45.72 -41.8 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.01 -56.34 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 14' ' ' MET . 51.8 mt -55.96 -25.94 45.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -74.43 -51.38 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.551 HG23 ' CE1' ' A' ' 87' ' ' PHE . 45.7 p -48.93 -39.5 26.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 8.9 ptm -78.11 -28.76 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . . . -74.2 -29.33 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.521 HG21 ' N ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -82.55 -33.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.521 ' N ' HG21 ' A' ' 16' ' ' ILE . 2.2 mp -68.35 -24.07 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -67.07 -23.45 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -118.7 73.07 11.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 -3.92 14.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.42 -0.96 24.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 79' ' ' LEU . 1.2 ttpp 71.48 65.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.4 pttt -172.36 127.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 4.0 mm? -133.81 173.17 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 m -156.85 107.09 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD22 ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -42.66 -46.49 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 34.0 t -57.67 -52.6 64.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' PHE . . . -64.91 -22.7 68.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.18 -45.84 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -60.96 -33.64 73.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -41.1 27.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.647 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -63.6 -34.54 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 32' ' ' PHE . 2.1 mt -83.91 -47.7 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 m -53.33 -44.71 68.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.62 -43.45 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -68.53 -38.32 80.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CB ' ' HB2' ' A' ' 40' ' ' TYR . 3.2 m-85 -118.48 104.04 48.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.05 -36.91 2.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -67.07 -40.0 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -65.05 -52.65 54.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.636 ' HA ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.95 -15.32 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -77.01 -49.7 14.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -78.63 -48.72 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.686 ' CE1' ' CB ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 24.28 64.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.91 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' SER . . . 173.15 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.686 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 2.1 m95 -70.12 -6.49 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 6.6 tt0 -70.34 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.528 ' HA ' ' CD ' ' A' ' 52' ' ' ARG . 80.2 m-20 -76.69 -25.29 53.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.546 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 2.4 m -63.78 -59.44 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.585 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 6.6 tp -63.25 -56.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -48.5 -37.28 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.577 ' CE1' HD21 ' A' ' 57' ' ' LEU . 31.9 t60 -64.38 -56.61 13.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 8' ' ' TYR . 8.4 m120 -68.76 -10.01 54.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -84.14 -55.48 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.526 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 p -77.49 -51.23 11.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD21 ' CE1' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -70.95 75.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.473 ' ND2' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER 168.56 -71.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.633 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 5.7 m-20 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.91 56.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.329 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.14 -161.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.52 159.27 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.598 ' HE3' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 ptmt -141.8 166.62 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 76' ' ' TYR . 1.1 pp -117.22 122.51 31.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.04 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.57 104.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -95.0 165.27 17.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.443 ' CD ' ' HG2' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 56.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.407 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 165.74 47.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.496 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 84.6 m-20 -136.04 59.94 31.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.98 100.94 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.95 -97.26 0.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.59 54.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.47 147.3 16.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 14.1 p-10 179.62 -176.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.724 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.4 m-85 -159.49 141.28 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.598 ' CZ3' ' HE3' ' A' ' 63' ' ' LYS . 18.9 m0 -118.06 164.7 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 3.8 m -135.81 120.26 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 61' ' ' PHE . 1.4 tm? -121.58 140.63 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 3.0 t70 -66.34 147.58 98.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.03 86.39 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 164.92 40.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t -80.63 -25.44 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.76 -39.81 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.6 -45.84 92.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -11.84 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.551 ' CE1' HG23 ' A' ' 13' ' ' THR . 3.3 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.47 ' CG ' HD13 ' A' ' 51' ' ' ILE . 14.5 m-85 -81.28 -28.07 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 HG21 ' CG ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -45.09 -40.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.04 -52.58 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 37' ' ' PHE . 1.4 mm? -61.22 -29.82 70.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 12' ' ' ILE . 1.7 mp -68.66 -55.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.584 ' HB ' ' CE1' ' A' ' 87' ' ' PHE . 69.2 p -47.78 -40.88 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttp -74.3 -30.2 61.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -68.16 -42.22 80.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 12' ' ' ILE . 1.7 mp -74.39 -33.62 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -34.51 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -68.87 -19.56 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 21' ' ' GLN . 5.9 p -125.76 67.09 58.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.96 40.59 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 19' ' ' SER . 16.2 tt0 -122.65 -5.82 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.59 59.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttm 179.92 106.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -145.37 152.96 40.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 24.5 m -108.09 114.85 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -43.39 -49.7 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 35.8 t -51.47 -52.76 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.97 -28.74 72.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.4 mp -67.94 -56.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.8 t -50.52 -40.92 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.74 -36.85 83.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -72.74 -20.03 61.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.636 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 19.1 mm -80.76 -40.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -61.42 -54.96 36.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.92 -40.46 57.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.76 -51.13 17.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CE1' HD13 ' A' ' 11' ' ' LEU . 41.6 m-85 -122.72 112.45 30.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -53.3 -40.73 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.4 m-30 -63.45 -40.49 97.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -16.13 56.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.11 -50.77 18.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 44' ' ' PHE . 6.8 tttp -80.11 -50.68 9.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER 25.2 66.24 0.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -12.54 21.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.553 1.817 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 45' ' ' PRO . . . 159.47 62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.5 m95 -83.05 14.8 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 52' ' ' ARG . 4.4 tm0? -80.65 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 50' ' ' SER . 16.5 p30 -77.93 -28.08 49.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 46' ' ' ALA . 70.3 m -57.88 -57.99 10.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 51' ' ' ILE . 1.7 mp -68.75 -45.57 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 4.8 mtt180 -53.14 -38.91 63.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.567 ' HD1' ' N ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -67.99 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.567 ' N ' ' HD1' ' A' ' 53' ' ' HIS . 1.2 m-20 -57.7 -14.29 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.567 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -79.98 -51.31 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 9.0 t -80.06 -51.65 8.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 3.9 mm? -72.44 76.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 2.4 m120 170.73 -59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 62.0 m-20 -76.05 -48.77 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.35 67.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -129.75 -166.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 78' ' ' THR . 34.6 m -118.62 153.39 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HD3' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -135.0 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 7.2 tt -121.41 128.6 25.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB2' ' NH1' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -38.13 111.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.54 137.89 30.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 81.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.44 -61.52 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 13.9 p-10 -117.06 97.34 50.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.1 Cg_endo -75.07 -93.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 15.04 -90.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' PRO . 6.9 mtmt -139.92 34.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.47 122.51 6.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.162 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.658 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 15.5 p-10 -163.02 179.01 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -154.86 140.6 18.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.591 ' CZ3' ' HD3' ' A' ' 63' ' ' LYS . 14.2 m0 -118.69 139.91 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 89.0 m -117.37 135.76 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 tt -116.29 160.57 20.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.97 151.5 97.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.96 78.74 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.8 mt-30 167.44 46.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 86' ' ' MET . 3.9 t -77.49 -47.19 20.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.58 -32.26 72.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.32 -55.37 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 83' ' ' SER . 12.7 ptm -63.03 -12.9 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 13' ' ' THR . 2.5 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.465 HG12 ' CE1' ' A' ' 39' ' ' TYR . 8.6 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mttt 69.8 140.4 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 168.9 23.81 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.29 29.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.98 165.9 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.452 ' HB3' ' OP2' ' B' ' 256' ' ' ' DA' . 88.0 p -68.74 119.52 13.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.608 ' OH ' ' CZ2' ' A' ' 47' ' ' TRP . 4.1 m-30 -81.3 -32.04 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.36 -37.77 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.26 42.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 11' ' ' LEU . 4.3 mm? -58.56 -33.18 69.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 13' ' ' THR . 1.4 mp -67.37 -59.33 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 81.6 p -45.62 -38.91 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 29.6 ttp -75.65 -32.92 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . . . -67.14 -32.54 73.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.509 HG12 ' CD1' ' A' ' 79' ' ' LEU . 6.5 tp -84.38 -43.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 87' ' ' PHE . 67.2 mt -63.61 -45.22 91.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -52.95 -18.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.77 78.62 7.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -3.43 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt 67.34 64.97 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 179.1 152.13 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 77' ' ' TRP . 12.1 tp -164.74 159.89 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -136.05 125.24 24.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -47.2 -49.56 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.538 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 m -62.31 -46.96 86.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.35 72.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -66.7 -45.33 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.3 t -55.37 -33.97 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.33 -42.92 29.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.84 -29.22 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 16.7 mm -81.29 -56.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 22.1 p -55.25 -33.16 62.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.38 -32.78 68.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -80.11 -50.82 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CB ' ' CD2' ' A' ' 40' ' ' TYR . 62.3 m-85 -113.51 118.4 43.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -52.21 -37.37 54.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 13.1 m-30 -66.7 -36.85 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 4.1 ttp180 -80.06 -13.94 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -81.7 -55.61 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -75.56 -53.01 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 1.4 t80 36.07 61.74 2.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.594 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 43.82 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 45' ' ' PRO . . . 91.43 66.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CZ2' ' OH ' ' A' ' 8' ' ' TYR . 7.9 m95 -82.06 -0.05 42.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.539 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.3 tm0? -68.88 -60.85 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.58 -34.37 60.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -54.67 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' LEU . 26.6 mm -65.58 -58.69 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.539 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 10.9 mtt180 -49.85 -33.18 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.593 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 43.7 t60 -68.82 -57.42 5.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 14.1 m-80 -69.48 -12.65 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -83.57 -54.34 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.412 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.3 p -80.61 -50.67 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -68.44 80.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.28 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -66.21 -46.54 76.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 15.0 m 68.46 64.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -115.86 -163.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' THR . 47.4 t -117.38 137.33 51.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -122.58 169.37 11.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -118.38 121.94 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.05 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -106.72 169.08 7.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.67 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.74 43.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -134.82 64.32 62.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.02 79.63 2.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.11 -80.14 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 54.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ASN . . . -116.92 77.41 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.461 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 9.3 p-10 -111.81 -174.54 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CB ' HG12 ' A' ' 64' ' ' ILE . 1.8 m-85 -145.94 136.01 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 8.5 m0 -125.73 129.63 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' VAL . 23.8 m -119.82 130.49 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.509 ' CD1' HG12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.04 145.14 45.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.32 170.4 10.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 66.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 9.9 t -54.93 -54.27 44.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.26 -17.09 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.92 -51.49 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 3.5 ptt? -66.85 -16.3 64.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -89.67 -53.78 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -42.66 54.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -51.7 -54.91 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.6 -152.26 1.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.0 p -149.45 45.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 65.99 52.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.62 112.21 22.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -101.79 62.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' CZ ' ' NH2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 169.58 -60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 59.56 62.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 37.36 64.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' NH2' " O4'" ' B' ' 255' ' ' ' DA' . 5.3 ttt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.58 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.149 -27.016 3 C5'-C4'-O4' 92.75 -10.406 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.58 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.369 4 O4'-C4'-C3' 95.961 -9.639 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.594 13.497 3 C5'-C4'-O4' 155.217 28.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.646 4 C5'-C4'-O4' 144.306 21.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.54 8.585 3 C5'-C4'-O4' 152.65 27.032 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.536 " H4'" ' OP1' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.081 -33.148 3 C5'-C4'-O4' 138.357 18.098 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.653 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.166 -25.437 3 C5'-C4'-O4' 141.626 20.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.276 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.63 16.765 3 C5'-C4'-O4' 157.043 29.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.593 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.372 -6.692 4 C5'-C4'-O4' 144.729 22.08 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.764 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.472 2.408 3 C5'-C4'-O4' 124.021 9.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.451 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.542 8.697 3 C5'-C4'-O4' 136.211 16.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.323 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.698 22.869 3 C5'-C4'-O4' 156.788 29.617 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 0.474 ' C2 ' ' C2 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.498 3 C5'-C4'-O4' 140.648 19.53 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.526 7.271 4 C5'-C4'-O4' 146.879 23.424 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.205 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.759 28.474 3 C5'-C4'-O4' 153.225 27.391 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.22 4 C5'-C4'-O4' 148.686 24.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.567 10.965 3 C5'-C4'-O4' 139.95 19.094 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.39 -5.11 4 O4'-C4'-C3' 97.22 -8.38 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.411 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.572 11.429 3 O4'-C4'-C3' 94.383 -11.217 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 134.397 15.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.475 4 C5'-C4'-O4' 124.921 9.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.461 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.572 11.467 3 C5'-C4'-O4' 154.2 28.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.498 ' N7 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.605 14.489 3 O4'-C4'-C3' 93.362 -12.238 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.485 3.577 3 C5'-C4'-O4' 135.116 16.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.494 4.407 4 C5'-C4'-O4' 144.209 21.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.343 3 C5'-C4'-O4' 129.079 12.3 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.511 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.405 -3.739 4 C5'-C4'-O4' 151.384 26.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.312 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.7 23.123 3 C5'-C4'-O4' 159.229 31.143 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.464 1.641 4 O4'-C4'-C3' 96.693 -8.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.477 2.846 4 C5'-C4'-O4' 145.383 22.49 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.309 -12.442 3 C5'-C4'-O4' 139.242 18.651 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.593 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.413 3 O4'-C4'-C3' 100.722 -4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.593 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.235 3 O4'-C4'-C3' 93.865 -11.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.249 -17.91 3 C5'-C4'-O4' 95.507 -8.683 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' CG1' ' CE1' ' A' ' 39' ' ' TYR . 62.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.617 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 1.9 mptt -108.73 -65.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.04 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.01 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 13.5 p90 -68.66 155.58 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p -114.75 -100.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 18.6 m-85 -81.25 -41.24 22.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 HG12 ' CZ ' ' A' ' 94' ' ' ARG . 2.6 pp -41.64 -32.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 6' ' ' TYR . . . -78.9 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 ' CE1' ' A' ' 37' ' ' PHE . 53.3 mt -49.04 -34.01 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.1 mm -74.53 -50.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' HD11 ' A' ' 17' ' ' LEU . 50.2 m -45.13 -39.11 5.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -40.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -54.68 -38.25 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mm -81.78 -53.95 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 13' ' ' THR . 0.7 OUTLIER -50.37 -43.0 54.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.09 -24.19 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 13.4 p -123.32 74.66 51.48 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.82 19.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -70.11 -94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 4.7 tttp 178.79 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -176.43 143.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 2.7 mm? -142.3 159.01 43.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 24' ' ' LEU . 5.1 p -144.34 94.96 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.1 tm? -44.71 -47.88 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 89.7 p -61.09 -56.57 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.79 -45.52 94.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 30' ' ' CYS . 1.1 mp -57.5 -42.93 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' SG ' ' CZ3' ' A' ' 47' ' ' TRP . 20.1 t -57.15 -46.87 82.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -31.88 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -69.63 -29.58 67.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.554 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 4.3 mt -77.51 -55.16 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -50.9 -38.3 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.43 -49.61 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -64.68 -55.24 21.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CE1' HD21 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -114.95 91.67 27.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 14.9 p90 -52.47 -38.17 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.9 t80 -59.21 -37.4 77.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -32.78 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -10.58 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -109.68 1.09 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 1.1 t80 -176.95 68.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.78 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . 171.5 59.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.578 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -110.91 40.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' OE1' ' OD1' ' A' ' 49' ' ' ASN . 13.4 tt0 -78.94 -61.02 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.488 ' HB2' ' N7 ' ' B' ' 258' ' ' ' DA' . 0.7 OUTLIER -78.04 -37.0 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.626 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -53.88 -53.19 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.493 HD12 ' CD1' ' A' ' 8' ' ' TYR . 9.2 mm -68.52 -47.75 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' NH1' ' N7 ' ' C' ' 354' ' ' ' DG' . 27.5 mtt180 -55.75 -25.13 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 51.0 t60 -78.64 -53.76 6.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.31 -13.08 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.66 -56.45 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.639 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -80.24 -49.07 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -78.38 73.43 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.37 -41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 1.1 m-20 -76.51 -44.65 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.5 m 69.29 54.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -127.31 -152.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.86 164.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' CE ' " H3'" ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -141.38 171.12 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -119.53 122.19 29.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.1 Cg_endo -75.03 -169.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' O ' " H5'" ' B' ' 265' ' ' ' DC' . 0.8 OUTLIER -61.13 73.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -81.51 -59.03 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.99 53.1 4.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -71.69 155.83 91.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.01 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.38 -111.27 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' HA ' " O3'" ' C' ' 352' ' ' ' DT' . 0.3 OUTLIER -142.76 58.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.27 87.1 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 16.9 p-10 -127.61 171.26 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -149.21 141.16 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 17.4 m0 -119.26 149.94 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 22.5 m -119.3 126.98 52.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 6.8 tt -117.23 149.84 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 12.0 t70 -72.86 145.0 86.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.02 82.97 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 168.39 40.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.435 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 0.6 OUTLIER -72.53 -38.07 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.97 -36.47 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.32 -58.16 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 4.0 ptt? -59.92 -15.01 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -82.76 -46.22 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -114.42 37.6 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.55 -171.78 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.85 70.37 3.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.94 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 65.99 58.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.78 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.524 ' NH2' ' NH1' ' A' ' 98' ' ' ARG . 23.6 tpt180 -179.09 143.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.547 ' NH1' ' CZ ' ' A' ' 98' ' ' ARG . 2.4 mtt85 -54.65 -55.76 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 79.29 -59.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -43.23 -44.86 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' CZ ' ' NH1' ' A' ' 95' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.412 " H1'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.474 2.519 4 O4'-C4'-C3' 95.182 -10.418 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.412 " C5'" " H1'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.465 1.724 4 C5'-C4'-O4' 95.644 -8.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.607 14.654 3 C5'-C4'-O4' 151.794 26.496 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.59 13.06 3 C5'-C4'-O4' 154.301 28.063 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.577 11.908 3 C5'-C4'-O4' 155.749 28.968 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.492 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.068 -34.332 3 C5'-C4'-O4' 133.288 14.93 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.269 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.682 21.458 3 C5'-C4'-O4' 150.863 25.914 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.228 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.748 27.415 3 C5'-C4'-O4' 144.338 21.836 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.599 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.6 13.959 3 C5'-C4'-O4' 155.611 28.882 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.488 ' N7 ' ' HB2' ' A' ' 49' ' ' ASN . . . . . . . . 0 C3'--C2' 1.504 -1.412 4 C5'-C4'-O4' 148.545 24.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.483 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.517 6.462 3 C5'-C4'-O4' 129.273 12.421 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.213 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.763 28.851 3 C5'-C4'-O4' 155.202 28.626 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.607 14.606 3 C5'-C4'-O4' 141.277 19.923 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.515 6.287 4 C5'-C4'-O4' 144.017 21.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.268 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.775 29.896 3 C5'-C4'-O4' 153.95 27.844 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.418 4 C5'-C4'-O4' 151.532 26.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . 0.421 ' OP1' ' O ' ' A' ' 67' ' ' GLU . . . . . . . . 0 O4'--C4' 1.407 -3.584 4 C5'-C4'-O4' 123.868 9.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.247 4 O4'-C4'-C3' 98.726 -6.874 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.531 7.736 4 O4'-C4'-C3' 95.423 -10.177 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . 0.429 " C2'" ' C7 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.543 8.849 3 C5'-C4'-O4' 153.569 27.606 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.811 " H4'" ' OP1' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.088 -32.554 3 C5'-C4'-O4' 127.198 11.124 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.811 ' OP1' " H4'" ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.845 3 C5'-C4'-O4' 151.771 26.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.542 ' OP2' ' NE1' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.549 9.337 4 C5'-C4'-O4' 130.423 13.14 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 259' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.477 2.83 4 C5'-C4'-O4' 133.753 15.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.197 4 C5'-C4'-O4' 141.102 19.814 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.456 ' H62' ' CE1' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.58 12.173 3 C5'-C4'-O4' 143.609 21.38 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.459 " C2'" ' C7 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.491 4.108 4 C5'-C4'-O4' 151.621 26.388 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.744 " C4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.406 -3.596 2 C5'-C4'-O4' 99.714 -6.054 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.744 ' OP1' " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.407 -3.522 4 C5'-C4'-O4' 83.453 -16.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.504 5.296 3 C5'-C4'-O4' 137.691 17.682 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.525 7.201 4 C5'-C4'-O4' 150.716 25.822 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.589 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.393 -4.848 2 C1'-O4'-C4' 116.024 4.517 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.589 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.158 3 O4'-C4'-C3' 93.763 -11.837 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.22 -20.566 3 C5'-C4'-O4' 96.789 -7.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.611 HG23 ' CD1' ' A' ' 39' ' ' TYR . 34.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.647 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -139.48 -66.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.01 106.69 2.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.01 -31.39 6.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -81.46 -160.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' CB ' " H3'" ' B' ' 256' ' ' ' DA' . 37.7 m -105.54 -158.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.466 ' CE2' ' OG ' ' A' ' 50' ' ' SER . 31.3 m-85 -69.17 -31.67 70.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 tt -51.06 -52.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.1 -50.28 73.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 37' ' ' PHE . 59.3 mt -54.21 -28.52 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -78.01 -59.21 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 29.4 p -39.7 -36.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.3 ttp -80.96 -45.78 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 11' ' ' LEU . . . -56.26 -33.66 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.6 mm -77.77 -51.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' HD21 ' A' ' 17' ' ' LEU . 4.1 mm? -57.13 -40.06 76.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -47.4 -28.32 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 3.8 p -119.08 77.57 16.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.78 14.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -71.42 -91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.25 73.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -177.84 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -149.37 175.25 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER 179.59 110.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.5 tm? -50.38 -50.79 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -49.82 -49.51 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.1 85.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.456 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -59.87 -63.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 t -48.85 -41.24 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -36.66 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -19.34 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 29' ' ' ILE . 5.8 mm -74.21 -40.43 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -71.21 -45.69 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -51.05 -42.17 60.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -75.63 -45.82 35.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CD1' ' HD3' ' A' ' 4' ' ' PRO . 12.5 m-85 -125.84 106.44 25.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.611 ' CD1' HG23 ' A' ' 2' ' ' VAL . 7.0 t80 -50.77 -37.49 42.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -40.43 96.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -80.36 -18.66 48.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -50.71 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -78.29 -49.48 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 10.9 t80 43.15 73.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 68.5 59.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.523 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.4 p-90 -97.15 28.09 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -71.69 -69.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' CG ' ' H62' ' B' ' 259' ' ' ' DA' . 23.3 p30 -71.07 -22.78 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.466 ' OG ' ' CE2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -62.46 -54.95 32.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.6 tp -66.92 -43.07 89.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CZ ' HD13 ' A' ' 26' ' ' LEU . 16.2 mtt180 -61.27 -32.26 72.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.489 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 2.2 t60 -68.05 -59.55 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.67 -13.11 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 tp -82.57 -52.34 6.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.604 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -77.48 -55.0 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.051 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD22 ' C7 ' ' C' ' 356' ' ' ' DT' . 4.3 mm? -72.31 82.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 165.42 -54.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.4 m-20 -81.56 -46.73 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.4 t 76.28 62.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.332 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.604 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -119.22 -162.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.447 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 13.6 t -119.71 149.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.671 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -134.17 168.41 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.507 ' O ' HG21 ' A' ' 64' ' ' ILE . 7.8 tt -118.4 120.28 32.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HB2' ' NH2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 65' ' ' PRO . 4.7 mtm-85 -33.58 116.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -105.88 120.69 48.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.21 2.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.29 -36.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -123.95 91.68 49.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 150.35 -96.68 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.52 55.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.42 100.57 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.525 ' CG ' ' N ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -142.9 170.94 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.525 ' N ' ' CG ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -140.6 151.47 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.671 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 20.5 m0 -121.03 148.0 44.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 41.4 m -117.68 141.5 48.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.84 144.28 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.7 160.97 62.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 179.44 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 p -80.01 -55.63 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -16.6 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.65 -49.81 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -71.45 -17.73 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -88.53 -36.32 16.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.05 -29.74 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -56.06 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.36 -53.46 4.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.64 59.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.09 39.24 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.47 90.87 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.476 ' NH1' ' OP1' ' B' ' 256' ' ' ' DA' . 0.1 OUTLIER -84.65 43.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' NH1' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -144.86 -71.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 6.6 ttp180 78.73 -71.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -169.4 124.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NH2' ' N3 ' ' B' ' 254' ' ' ' DA' . 3.6 mtp180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.445 " H1'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.495 4.463 3 O4'-C4'-C3' 94.249 -11.351 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.445 " C5'" " H1'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.503 -1.456 4 C5'-C4'-O4' 96.883 -7.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 1.354 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.649 18.496 3 C5'-C4'-O4' 156.631 29.52 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.416 4 C5'-C4'-O4' 141.697 20.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 12.038 3 C5'-C4'-O4' 152.298 26.811 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.532 " H4'" ' OP1' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.076 -33.653 3 C5'-C4'-O4' 136.218 16.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.59 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.143 -27.566 3 C5'-C4'-O4' 141.054 19.784 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.296 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.704 23.474 3 C5'-C4'-O4' 158.299 30.562 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.553 ' C2 ' ' N7 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.474 2.543 4 C5'-C4'-O4' 146.024 22.89 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.608 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.52 6.718 4 C5'-C4'-O4' 150.869 25.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 1.259 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.64 17.639 3 C5'-C4'-O4' 152.042 26.651 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.129 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.867 38.276 3 C5'-C4'-O4' 157.992 30.37 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.318 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.667 20.071 3 C5'-C4'-O4' 151.583 26.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.55 9.435 4 C5'-C4'-O4' 152.158 26.723 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.622 15.993 3 C5'-C4'-O4' 149.922 25.326 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.493 4.269 4 C5'-C4'-O4' 129.451 12.532 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.521 6.815 4 C5'-C4'-O4' 144.985 22.24 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.374 -6.53 4 O4'-C4'-C3' 98.342 -7.258 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.409 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.573 11.558 3 O4'-C4'-C3' 94.561 -11.039 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.474 4 C5'-C4'-O4' 136.96 17.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.437 " O5'" ' O ' ' A' ' 72' ' ' GLY . . . . . . . . 1 O4'--C4' 1.402 -4.025 3 C1'-O4'-C4' 115.852 4.394 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.446 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.627 16.428 3 C5'-C4'-O4' 155.681 28.926 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.584 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.537 8.288 4 C5'-C4'-O4' 141.454 20.034 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.571 11.377 3 C5'-C4'-O4' 151.82 26.512 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.489 ' C2 ' ' N7 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.328 -10.691 4 C5'-C4'-O4' 145.588 22.618 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.608 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.179 -24.305 3 C5'-C4'-O4' 88.203 -13.248 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.54 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.111 3 C5'-C4'-O4' 154.535 28.21 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.139 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.81 33.069 3 O4'-C4'-C3' 79.744 -25.856 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.439 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.463 4 C5'-C4'-O4' 91.741 -11.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.601 14.097 3 C5'-C4'-O4' 151.474 26.296 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.354 -8.354 4 C5'-C4'-O4' 139.348 18.717 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.579 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.674 2 O4'-C1'-N19 111.162 4.202 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.579 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.624 16.144 3 O4'-C4'-C3' 92.863 -12.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.209 -21.535 3 C5'-C4'-O4' 95.876 -8.453 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 4' ' ' PRO . 42.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.91 95.93 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.93 113.85 3.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 18.4 Cg_endo -75.0 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -141.16 -173.11 3.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.465 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 41.0 t -94.19 -163.97 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 50' ' ' SER . 4.7 m-85 -75.02 -29.66 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 13' ' ' THR . 13.3 tt -40.6 -29.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -74.79 -51.87 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 11.1 mp -58.91 -29.06 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 3.2 mp -77.47 -56.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.537 HG23 ' CZ ' ' A' ' 87' ' ' PHE . 3.2 p -44.13 -35.68 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.1 ttp -80.4 -42.23 23.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . . . -58.53 -35.91 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.01 -49.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD22 ' CZ ' ' A' ' 87' ' ' PHE . 2.1 mm? -55.9 -31.8 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.81 -17.59 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 p -127.55 68.16 73.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.04 -4.31 15.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.45 -89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 173.32 64.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.12 146.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 25' ' ' THR . 10.5 mt -144.38 169.27 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 36.6 p -156.09 100.24 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.1 tp -45.37 -41.49 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -54.49 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -28.0 72.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CD1' HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.38 -44.11 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.6 t -62.32 -37.24 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.87 -37.2 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.25 -34.24 77.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.621 HG13 ' CE2' ' A' ' 32' ' ' PHE . 1.6 mt -81.69 -53.92 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -46.28 -43.38 15.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -48.57 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -58.64 -39.92 81.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -129.97 93.97 32.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -20.88 16.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CE1' ' CG2' ' A' ' 2' ' ' VAL . 2.0 t80 -80.77 -28.87 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.32 -62.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -52.45 -32.22 38.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.74 -22.93 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HD2' ' CB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -100.19 19.24 16.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -154.22 94.14 2.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 18.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 175.27 82.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 44.6 p-90 -125.92 31.41 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 2.0 tm0? -81.58 -48.3 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 77.7 m-20 -72.58 -39.94 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 3.3 m -47.7 -57.46 5.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -65.93 -42.75 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.565 ' NH1' ' CB ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -54.99 -31.6 61.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.625 ' CE1' ' N7 ' ' B' ' 256' ' ' ' DA' . 9.0 t-80 -73.6 -56.67 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' ND2' ' HB ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -67.5 -14.51 63.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 2.2 tp -84.86 -58.37 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.565 ' CB ' ' NH1' ' A' ' 52' ' ' ARG . 15.9 p -77.36 -51.16 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -80.92 83.6 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.17 -64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -67.9 -49.34 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 80.57 63.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -126.39 -164.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 4.4 m -120.11 157.91 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' OP1' ' C' ' 354' ' ' ' DG' . 0.5 OUTLIER -140.27 173.68 11.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' O ' HG21 ' A' ' 64' ' ' ILE . 1.1 tt -116.4 121.66 33.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 18.5 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CG ' ' O2 ' ' C' ' 352' ' ' ' DT' . 0.1 OUTLIER -51.17 110.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.22 159.95 30.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 74.97 3.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.44 44.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 1.6 m120 -119.42 78.5 19.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.03 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 104.98 -57.93 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -142.51 60.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -120.47 71.79 0.35 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.535 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.7 p-10 -135.36 175.42 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -151.25 154.15 36.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.599 ' CZ2' ' OP2' ' C' ' 354' ' ' ' DG' . 16.6 m0 -119.79 173.56 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.492 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 43.2 m -142.5 138.67 31.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.71 167.43 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 159.05 30.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.0 92.06 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.6 mt-30 165.39 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -81.63 -55.19 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.68 -28.4 55.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.04 -45.23 82.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mtm -54.75 -37.14 65.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 13' ' ' THR . 4.4 m-85 -84.04 -52.28 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.89 -39.27 53.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -46.16 -55.18 7.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.11 -106.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.87 39.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.95 36.1 10.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.79 174.2 2.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 169.25 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.416 ' NH2' " H5'" ' C' ' 363' ' ' ' DA' . 6.9 ttt85 74.12 62.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.79 42.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.521 ' CZ ' " H5'" ' B' ' 255' ' ' ' DA' . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.622 15.982 3 C5'-C4'-O4' 84.217 -15.74 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.611 4 C5'-C4'-O4' 97.118 -7.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.599 13.942 3 C5'-C4'-O4' 154.262 28.039 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 139.983 19.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.503 5.142 4 C5'-C4'-O4' 151.787 26.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.527 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.074 -33.828 3 C5'-C4'-O4' 135.333 16.208 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.542 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.102 -31.261 3 C5'-C4'-O4' 139.598 18.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.313 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.635 17.141 3 C5'-C4'-O4' 155.95 29.094 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.532 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.565 4 C5'-C4'-O4' 150.594 25.746 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.675 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.209 -21.502 3 C1'-O4'-C4' 119.949 7.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.574 " H1'" " O5'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.214 -21.094 2 C5'-C4'-O4' 85.209 -15.12 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 0.574 " O5'" " H1'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.656 3 C5'-C4'-O4' 154.654 28.284 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.568 11.072 3 C5'-C4'-O4' 143.001 21.0 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.544 8.891 4 C5'-C4'-O4' 152.817 27.136 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.56 10.407 3 C5'-C4'-O4' 149.424 25.015 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.428 4 C5'-C4'-O4' 131.946 14.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.537 8.312 4 C5'-C4'-O4' 144.597 21.998 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.655 4 O4'-C4'-C3' 97.032 -8.568 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.41 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.592 13.252 3 O4'-C4'-C3' 94.026 -11.574 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.511 5.942 3 C5'-C4'-O4' 132.575 14.485 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.547 ' O2 ' ' CG ' ' A' ' 66' ' ' ARG . . . . . . . . 1 O4'--C4' 1.519 6.651 3 C5'-C4'-O4' 132.676 14.548 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.454 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.527 7.348 4 C5'-C4'-O4' 153.502 27.564 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.599 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.556 10.014 3 C5'-C4'-O4' 131.967 14.105 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.538 ' C5 ' ' C4 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.562 10.569 3 C5'-C4'-O4' 133.834 15.271 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.484 ' C7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.55 9.49 3 C5'-C4'-O4' 136.581 16.988 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.675 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.601 14.093 3 C5'-C4'-O4' 149.427 25.017 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.588 12.888 3 C5'-C4'-O4' 154.107 27.942 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.181 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.567 3 C5'-C4'-O4' 155.832 29.02 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.407 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.398 -4.349 4 C5'-C4'-O4' 90.267 -11.958 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.552 9.675 3 C5'-C4'-O4' 144.02 21.637 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 4 C5'-C4'-O4' 148.877 24.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.398 -4.373 2 C1'-O4'-C4' 115.891 4.422 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.322 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.657 19.177 3 O4'-C4'-C3' 91.89 -13.71 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.243 -18.409 3 C5'-C4'-O4' 95.376 -8.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.583 HG13 ' CE1' ' A' ' 39' ' ' TYR . 28.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.595 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -82.22 -64.36 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.631 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -74.99 141.09 26.25 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 20.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.631 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -89.59 155.01 19.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.451 ' OG ' ' OP2' ' B' ' 256' ' ' ' DA' . 79.0 p -94.92 -163.14 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.704 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 9.6 t80 -83.77 -31.82 25.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 10' ' ' ALA . 6.2 tp -40.69 -28.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -73.17 -53.79 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' A' ' 37' ' ' PHE . 3.3 mp -54.3 -41.81 69.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 8' ' ' TYR . 15.9 mm -67.91 -48.63 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 87' ' ' PHE . 1.9 m -41.13 -45.91 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 13.7 ttp -79.69 -33.31 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -58.85 -35.16 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.5 mm -81.95 -50.02 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.32 -48.62 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.2 pp0? -43.65 -31.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 p -116.71 76.91 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 37.91 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -118.32 -11.03 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 64.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.79 111.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -155.99 168.79 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 75' ' ' ASN . 30.3 p -120.38 131.37 54.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -52.54 -41.17 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -59.3 -57.62 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.2 -41.19 78.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -61.32 -56.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.61 -38.4 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.316 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CE2' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -69.81 -21.8 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 32' ' ' PHE . 29.7 mm -80.94 -54.74 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 19.8 m -55.88 -46.14 78.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.09 -40.32 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -76.63 -50.28 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CE1' HD23 ' A' ' 11' ' ' LEU . 3.0 m-85 -122.1 107.73 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' HG13 ' A' ' 2' ' ' VAL . 2.9 t80 -45.72 -41.02 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.6 m-30 -68.13 -37.55 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.34 -17.89 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.7 mttm -70.9 -56.94 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 3.6 t80 27.86 62.19 0.65 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -21.24 16.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.783 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -179.51 54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.704 ' CZ3' ' CD1' ' A' ' 8' ' ' TYR . 3.2 m95 -72.15 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' TRP . 1.4 tt0 -36.42 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.523 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 10.0 m-20 -78.68 -56.27 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.498 ' HA ' ' C7 ' ' B' ' 257' ' ' ' DT' . 1.1 t -65.07 -30.25 71.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 20.9 mt -68.21 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.494 ' CZ ' " C2'" ' C' ' 353' ' ' ' DT' . 6.3 mtt-85 -62.22 -16.13 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.634 ' CE1' ' N6 ' ' C' ' 357' ' ' ' DA' . 46.7 t60 -80.86 -54.48 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 50' ' ' SER . 30.6 m120 -70.61 -24.34 62.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -81.65 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.421 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.9 p -70.87 -50.53 34.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -81.83 86.82 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.2 m120 154.28 -58.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.599 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 4.4 m-20 -68.26 -67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.599 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 96.59 56.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -117.81 -167.09 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 m -119.43 140.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' OP1' ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -130.92 171.07 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.575 ' O ' HG21 ' A' ' 64' ' ' ILE . 6.9 tt -118.09 129.95 25.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.86 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -80.56 166.71 37.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.04 55.22 3.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.13 53.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -115.1 87.11 14.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.1 Cg_endo -75.04 52.46 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.753 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 101.94 -52.53 0.85 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -145.02 68.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -132.13 76.8 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 6.7 p30 -122.74 179.44 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER -143.11 141.08 31.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.594 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.6 m0 -125.82 151.66 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 55.3 m -139.3 125.03 19.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.562 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 1.5 tt -114.85 153.56 30.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.562 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -73.01 149.85 89.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -177.64 35.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 7.6 t -72.24 -54.47 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 -25.03 58.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -71.06 -49.36 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.5 ' HE2' ' CE2' ' A' ' 87' ' ' PHE . 2.1 ptt? -72.78 -21.35 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 86' ' ' MET . 0.3 OUTLIER -108.14 33.53 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 t0 179.64 56.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -79.88 -56.35 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.88 -77.54 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.44 -59.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -176.83 57.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.89 146.33 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.58 ' NH1' " O3'" ' B' ' 255' ' ' ' DA' . 62.6 ttp85 -136.8 57.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH1' ' NH2' ' A' ' 98' ' ' ARG . 1.1 ttt85 170.76 -70.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 179.17 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.73 69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.602 ' NH2' ' NH1' ' A' ' 95' ' ' ARG . 6.7 ttm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.591 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.159 -26.106 3 C5'-C4'-O4' 90.354 -11.904 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.591 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.468 2.0 4 O4'-C4'-C3' 96.057 -9.543 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.564 10.715 3 C5'-C4'-O4' 151.163 26.102 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.5 4.886 3 C5'-C4'-O4' 133.458 15.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.551 9.584 4 C5'-C4'-O4' 147.794 23.996 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.523 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.075 -33.682 3 C5'-C4'-O4' 136.175 16.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.588 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.117 -29.881 3 C5'-C4'-O4' 140.195 19.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.296 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.68 21.296 3 C5'-C4'-O4' 158.835 30.897 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.627 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.484 3.418 4 C5'-C4'-O4' 147.962 24.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.588 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.472 2.322 4 C5'-C4'-O4' 150.625 25.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.523 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.562 10.505 3 C5'-C4'-O4' 142.023 20.39 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.231 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.781 30.416 3 C5'-C4'-O4' 155.731 28.957 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.618 15.664 3 C5'-C4'-O4' 143.189 21.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.566 10.9 3 C5'-C4'-O4' 143.912 21.57 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.245 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.738 26.508 3 C5'-C4'-O4' 159.503 31.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.413 4 C5'-C4'-O4' 151.388 26.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.489 3.954 4 C5'-C4'-O4' 140.793 19.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.883 4 O4'-C4'-C3' 96.452 -9.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.573 11.533 3 O4'-C4'-C3' 95.053 -10.547 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.402 3 C5'-C4'-O4' 126.778 10.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.43 ' OP1' ' HA2' ' A' ' 72' ' ' GLY . . . . . . . . 1 O4'--C4' 1.524 7.08 3 C5'-C4'-O4' 136.938 17.211 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.494 " C2'" ' CZ ' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.51 5.823 4 C5'-C4'-O4' 153.063 27.289 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.424 ' OP1' ' O ' ' A' ' 64' ' ' ILE . . . . . . . . 1 O4'--C4' 1.602 14.221 3 O4'-C4'-C3' 93.049 -12.551 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.4 ' C7 ' ' HB3' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.544 8.912 3 C5'-C4'-O4' 141.342 19.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.493 4.254 4 C5'-C4'-O4' 144.486 21.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.634 ' N6 ' ' CE1' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.385 4 C5'-C4'-O4' 148.851 24.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.662 " C4'" ' OP1' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.321 -11.353 2 O4'-C1'-N19 111.184 4.23 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.066 " O4'" " H4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 2.002 50.533 3 O4'-C4'-C3' 73.902 -31.698 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.435 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.373 -6.626 4 C5'-C4'-O4' 88.56 -13.025 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.498 4.72 4 C5'-C4'-O4' 146.759 23.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.315 -11.881 3 C5'-C4'-O4' 135.859 16.537 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.583 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.381 2 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.583 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.181 3 O4'-C4'-C3' 93.792 -11.808 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.254 -17.467 3 C5'-C4'-O4' 95.423 -8.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -125.93 74.0 70.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.02 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 6' ' ' TYR . 18.2 Cg_endo -75.04 -51.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.01 170.06 16.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.492 ' OG ' " C2'" ' B' ' 256' ' ' ' DA' . 3.8 t -74.32 -159.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.647 ' CD2' ' HA ' ' A' ' 51' ' ' ILE . 5.5 t80 -82.54 -21.63 35.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.503 HG23 ' CZ ' ' A' ' 94' ' ' ARG . 8.1 tt -47.95 -47.53 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -64.56 -57.94 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 40' ' ' TYR . 13.1 mt -50.46 -31.53 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.571 HD12 ' CE2' ' A' ' 8' ' ' TYR . 8.8 mm -68.55 -55.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 43.8 p -45.22 -40.65 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 32' ' ' PHE . 2.2 ptt? -82.01 -22.38 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 11' ' ' LEU . . . -69.63 -42.86 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -79.3 -39.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 13' ' ' THR . 1.7 mp -59.55 -40.58 87.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -63.32 -25.87 68.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 65.4 p -122.02 70.06 29.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.494 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -10.73 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mppt? 70.06 58.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 179.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.05 160.71 39.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 75' ' ' ASN . 2.3 m -114.96 128.33 56.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -53.81 -52.93 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 p -48.43 -51.37 27.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.66 95.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -62.67 -45.23 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.0 t -55.5 -48.42 74.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.44 -26.92 68.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CE2' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -77.6 -24.25 49.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 8' ' ' TYR . 33.8 mm -80.89 -53.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' PHE . 59.3 p -60.62 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.24 -35.03 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 3.8 mmt-85 -72.41 -41.32 66.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 36' ' ' ARG . 30.2 m-85 -132.49 125.11 19.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.8 10.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.685 ' CE2' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -56.15 -43.48 78.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE1' ' CE2' ' A' ' 39' ' ' TYR . 11.5 m-85 -65.0 -41.58 95.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.46 -42.11 77.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.68 -15.49 51.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.742 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -120.07 56.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 4.0 t80 -113.52 61.75 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.97 -18.88 18.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -179.58 52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 3.2 m95 -71.86 -46.71 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -44.96 -33.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.529 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 28.0 m-20 -82.56 -48.61 10.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . 26.8 t -63.03 -32.69 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.647 ' HA ' ' CD2' ' A' ' 8' ' ' TYR . 7.1 pt -73.75 -56.6 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.6 mpp_? -61.76 -18.45 59.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.568 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 50.7 t-80 -82.11 -56.6 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' SER . 34.1 m120 -71.9 -19.18 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.556 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -81.93 -56.01 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 51.1 p -76.98 -51.7 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -79.82 77.43 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 166.4 -59.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.9 m-20 -66.9 -57.39 7.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.19 55.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -122.61 -163.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.43 151.11 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -129.56 173.41 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.486 ' O ' HG21 ' A' ' 64' ' ' ILE . 1.2 tp -116.96 119.54 35.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tpt85 -35.46 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tp10 -105.89 133.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.28 2.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.566 1.824 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.14 -53.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.65 114.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 154.07 -97.4 0.17 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -142.73 56.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.57 93.82 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.674 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 17.8 p-10 -122.47 -158.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER -158.92 140.08 13.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CD1' ' ND2' ' A' ' 75' ' ' ASN . 10.7 m0 -125.65 136.83 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 94.1 m -121.19 132.1 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 2.1 tt -116.61 151.47 36.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 8.3 t70 -68.65 146.31 97.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.06 86.92 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 163.71 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.418 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 3.4 p -78.97 -35.75 42.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.47 -36.26 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' ASN . 5.2 t0 -66.48 -56.53 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 83' ' ' SER . 25.8 ptt? -57.61 -33.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 -68.5 -45.83 71.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.29 30.19 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.1 m-20 -79.88 -59.09 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.36 -63.1 2.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.16 -60.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -153.54 -51.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp 72.9 54.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.503 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 1.7 tpm_? 177.94 125.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.416 HH12 ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -59.01 -48.84 80.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER 75.39 136.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 80.24 -63.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.45 ' NH2' " O3'" ' B' ' 255' ' ' ' DA' . 6.6 ttt85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.421 " O5'" " H2'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.568 11.126 3 O4'-C4'-C3' 89.851 -15.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.584 " H4'" ' OP1' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.072 -33.985 3 C1'-O4'-C4' 123.469 9.835 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 0.584 ' OP1' " H4'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.387 -5.337 4 C5'-C4'-O4' 151.598 26.373 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.417 4 C5'-C4'-O4' 123.337 8.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.543 8.839 4 C5'-C4'-O4' 151.07 26.044 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.496 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.069 -34.282 3 C5'-C4'-O4' 133.93 15.331 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.272 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.691 22.292 3 O4'-C4'-C3' 82.484 -23.116 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.149 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.81 33.091 3 C5'-C4'-O4' 148.023 24.139 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 1.327 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.652 18.689 3 C5'-C4'-O4' 156.059 29.162 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.476 2.711 4 C5'-C4'-O4' 151.205 26.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.529 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.62 15.827 3 C5'-C4'-O4' 136.892 17.183 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.247 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.745 27.22 3 C5'-C4'-O4' 160.431 31.894 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.603 14.24 3 C5'-C4'-O4' 144.017 21.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.554 9.814 4 C5'-C4'-O4' 148.528 24.455 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.144 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.805 32.662 3 C5'-C4'-O4' 151.152 26.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.439 4 C5'-C4'-O4' 148.017 24.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.542 8.708 4 C5'-C4'-O4' 142.289 20.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.387 -5.385 4 O4'-C4'-C3' 97.547 -8.053 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.419 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.572 11.492 3 O4'-C4'-C3' 94.745 -10.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.508 5.642 3 C5'-C4'-O4' 126.941 10.963 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.446 " O5'" ' O ' ' A' ' 72' ' ' GLY . . . . . . . . 0 O4'--C4' 1.471 2.232 3 O4'-C4'-C3' 99.953 -5.647 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.544 8.924 4 C5'-C4'-O4' 147.972 24.107 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.536 ' N7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.556 10.009 4 C5'-C4'-O4' 147.002 23.502 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.422 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.546 9.101 4 C5'-C4'-O4' 152.801 27.126 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.422 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.499 4.788 4 C5'-C4'-O4' 141.997 20.373 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.56 " H4'" ' OP1' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.098 -31.598 3 C5'-C4'-O4' 132.22 14.263 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.56 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.288 -14.361 4 C5'-C4'-O4' 147.26 23.662 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.698 " C4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.233 -19.37 2 C1'-O4'-C4' 118.67 6.407 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.698 ' OP1' " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.352 -8.529 4 C5'-C4'-O4' 84.775 -15.39 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.544 8.87 4 C5'-C4'-O4' 151.137 26.085 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.187 4 C5'-C4'-O4' 149.43 25.019 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " C1'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.142 -27.645 2 C1'-O4'-C4' 121.837 8.669 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.321 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.68 21.286 3 O4'-C4'-C3' 84.353 -21.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . 0.443 " C5'" " H1'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.16 -25.984 3 C1'-O4'-C4' 121.596 8.497 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.543 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 1.4 tptt -171.32 58.25 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.01 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD2' ' OH ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.06 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -137.89 -175.32 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.512 ' OG ' ' NH1' ' A' ' 98' ' ' ARG . 6.1 p -75.04 -173.97 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 64.5 m-85 -81.09 -47.5 13.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -39.45 -33.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -64.07 -54.22 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 2.9 mm? -59.39 -29.84 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.55 -51.9 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 48.2 m -52.4 -39.84 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 10.0 ttp -79.76 -22.11 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -74.49 -36.9 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.408 HG13 ' OD2' ' A' ' 59' ' ' ASP . 27.5 mm -81.61 -37.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 17' ' ' LEU . 3.9 mm? -68.93 -52.4 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' MET . 1.1 pp0? -51.02 -24.79 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.4 p -119.48 74.26 16.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 40.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.8 OUTLIER -119.87 -13.93 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.91 61.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.88 105.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -148.58 165.81 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.4 p -114.9 132.6 56.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -52.97 -45.19 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.507 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 23.0 t -59.25 -55.34 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -33.65 61.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 30' ' ' CYS . 1.2 mp -67.41 -52.35 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 39.0 t -54.08 -33.33 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.01 -33.71 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.38 -33.44 71.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' CE2' ' A' ' 32' ' ' PHE . 5.9 mt -75.63 -58.48 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -46.2 -32.22 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.26 -37.57 72.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -76.39 -37.68 56.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -125.71 108.49 25.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.38 14.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -71.22 -38.49 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.816 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -58.81 -45.14 90.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -70.56 -9.14 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.71 -51.37 8.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.0 tptt -78.47 -53.92 6.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 0.5 OUTLIER 26.25 65.34 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 50' ' ' SER . . . -178.78 47.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.816 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.1 m95 -70.87 -5.08 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -69.32 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.459 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -76.46 -31.14 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 1.7 p -48.89 -54.28 16.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 55' ' ' LEU . 6.4 pt -77.26 -50.4 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.58 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 53.8 t-80 -80.3 -58.73 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.52 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 27.7 m120 -65.61 -11.51 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.622 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -86.07 -59.62 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.28 -47.69 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.12 87.69 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.1 m120 155.38 -49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.4 m-20 -80.71 -61.31 2.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.6 t 95.43 61.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 55' ' ' LEU . 1.8 p90 -126.23 -160.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.34 165.77 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -174.59 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 13.4 mm -122.49 109.29 32.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.06 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CG ' ' O2 ' ' C' ' 352' ' ' ' DT' . 5.7 mtm-85 -33.45 103.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -127.9 176.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 63.85 6.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 175.05 49.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' " H5'" ' C' ' 353' ' ' ' DT' . 7.0 m-20 -132.58 64.19 70.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 70.83 5.18 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 101.45 -65.9 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 13.0 mtmm -142.64 58.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -117.74 126.45 6.91 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.9 p-10 -162.57 -178.36 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 12.9 m-85 -150.51 138.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.622 ' CZ3' ' HG ' ' A' ' 55' ' ' LEU . 11.1 m0 -124.23 136.93 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.3 m -118.15 135.44 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 3.6 tt -119.14 157.21 28.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.19 155.5 46.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -75.05 90.46 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.9 mt-30 165.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 60.6 p -81.07 -41.86 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.7 -57.04 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 59' ' ' ASP . 22.8 ttp -71.42 -36.59 71.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CD2' ' O ' ' A' ' 83' ' ' SER . 11.2 m-85 -79.59 4.96 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.47 44.52 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -71.28 -177.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.58 -66.7 2.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t 179.65 73.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.84 29.94 6.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' CB ' ' OP1' ' B' ' 255' ' ' ' DA' . 4.9 mp -135.67 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -123.78 60.42 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 161.07 82.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -52.34 43.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.55 82.97 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NH1' ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 1.077 " O4'" " H4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.899 41.194 3 O4'-C4'-C3' 79.258 -26.342 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.536 " H4'" ' OP1' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.07 -34.163 3 C5'-C4'-O4' 93.107 -10.183 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 0.536 ' OP1' " H4'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.387 -5.405 4 C5'-C4'-O4' 151.37 26.231 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.471 2.273 4 C5'-C4'-O4' 125.004 9.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.594 13.438 3 C5'-C4'-O4' 151.951 26.594 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.432 " C1'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.099 -31.573 3 C1'-O4'-C4' 121.194 8.21 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.776 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.205 -21.939 4 C5'-C4'-O4' 141.858 20.286 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.776 ' OP1' " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.113 -30.301 3 C5'-C4'-O4' 140.115 19.197 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.678 ' OP1' " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.522 6.91 3 C5'-C4'-O4' 147.37 23.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.702 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 125.999 10.374 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.407 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.529 7.543 3 C5'-C4'-O4' 138.776 18.36 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.185 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.788 31.065 3 C5'-C4'-O4' 156.286 29.304 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.503 5.166 4 C5'-C4'-O4' 152.844 27.153 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.544 8.92 4 C5'-C4'-O4' 137.184 17.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.173 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.753 27.88 3 C5'-C4'-O4' 159.729 31.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.054 4 C5'-C4'-O4' 150.794 25.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.513 6.085 4 C5'-C4'-O4' 142.187 20.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.383 -5.729 4 C5'-C4'-O4' 124.016 9.135 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.58 12.187 3 O4'-C4'-C3' 94.286 -11.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.441 4 C5'-C4'-O4' 129.595 12.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.547 ' O2 ' ' CG ' ' A' ' 66' ' ' ARG . . . . . . . . 0 O4'--C4' 1.483 3.407 4 C5'-C4'-O4' 137.884 17.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.447 " H5'" ' ND2' ' A' ' 70' ' ' ASN . . . . . . . . 1 O4'--C4' 1.568 11.069 3 C5'-C4'-O4' 154.886 28.429 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.434 " C5'" ' HB3' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.577 11.916 3 O4'-C4'-C3' 94.196 -11.404 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.506 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.53 7.63 3 C5'-C4'-O4' 139.03 18.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.506 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.408 -3.469 4 C5'-C4'-O4' 139.8 19.0 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.702 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.299 3 C5'-C4'-O4' 138.33 18.081 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.627 16.439 3 C5'-C4'-O4' 155.441 28.776 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.738 " H4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.143 -27.534 3 C5'-C4'-O4' 138.716 18.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.738 ' OP1' " H4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.548 9.284 3 O4'-C4'-C3' 90.432 -15.168 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.416 4 C5'-C4'-O4' 130.593 13.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 146.789 23.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.59 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -1.988 1 O4'-C1'-N19 111.203 4.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.341 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.642 17.773 3 O4'-C4'-C3' 92.707 -12.893 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.257 -17.197 3 C5'-C4'-O4' 95.346 -8.784 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.735 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 33.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 6.9 mttt 113.76 -55.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.75 ' HD3' ' HB2' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.97 125.66 9.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.543 ' CB ' ' OH ' ' A' ' 40' ' ' TYR . 18.1 Cg_endo -75.01 167.93 25.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.495 1.787 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -107.15 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.585 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 67.7 p -66.19 96.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 43.9 m-85 -51.21 -27.65 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 10' ' ' ALA . 8.0 pt -61.2 -36.49 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -70.25 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' CG ' ' HA ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -47.97 -34.33 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 55' ' ' LEU . 4.9 mm -69.94 -53.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 6.4 tmm? -80.43 -36.17 34.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -60.94 -28.57 69.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' CG1' HD11 ' A' ' 79' ' ' LEU . 1.6 mp -85.31 -49.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.0 -39.65 82.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.38 -26.04 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.6 p -120.8 73.37 23.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 -4.81 15.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.05 -8.68 47.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 70.48 57.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.66 112.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -149.63 160.14 43.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.2 p -118.24 127.01 53.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 1.9 tm? -50.74 -53.28 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 73' ' ' LYS . 24.9 t -50.38 -52.21 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.07 -31.66 81.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.3 mp -65.71 -45.53 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' SG ' ' CH2' ' A' ' 47' ' ' TRP . 17.7 t -61.12 -38.62 86.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -64.51 -39.49 93.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.34 -32.48 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG13 ' CE2' ' A' ' 32' ' ' PHE . 2.5 mt -75.95 -26.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' PHE . 54.6 p -71.59 -43.87 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.36 -44.71 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 3.7 mmt180 -67.84 -32.45 72.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -130.14 105.13 16.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 8.0 p90 -57.5 -30.53 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' OH ' ' CB ' ' A' ' 5' ' ' PRO . 3.1 t80 -61.89 -49.97 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -75.93 -6.82 52.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 1.8 mt-10 -81.54 -46.97 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.5 tptp -80.2 -48.07 13.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 35.85 72.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 31.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 75.22 57.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 8.7 p-90 -94.07 26.48 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.17 -66.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HB2' ' N6 ' ' B' ' 259' ' ' ' DA' . 21.2 p30 -73.07 -18.87 61.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.3 m -64.53 -56.48 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -68.32 -37.11 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.476 ' NE ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.637 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 1.7 t-80 -71.21 -59.2 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.491 ' CB ' ' HB2' ' A' ' 8' ' ' TYR . 2.8 m-20 -65.78 -14.82 62.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' CD2' HD13 ' A' ' 12' ' ' ILE . 3.0 tp -81.98 -54.32 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.65 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 84.1 p -71.56 -53.29 14.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 87.27 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.57 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.8 m-20 -78.77 -48.36 14.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER 89.9 75.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CD2' HD13 ' A' ' 79' ' ' LEU . 8.8 p90 -136.35 -163.95 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 HG21 ' HB ' ' A' ' 78' ' ' THR . 32.2 m -123.44 163.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -177.7 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.6 mm -117.5 123.65 29.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 -160.58 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' O ' " H5'" ' B' ' 265' ' ' ' DC' . 0.0 OUTLIER -65.43 58.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.767 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 1.5 tt0 -141.22 43.15 0.51 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HD3' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.02 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.76 5.08 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 68' ' ' PRO . 5.7 p30 -135.31 137.92 27.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 160.2 -164.89 34.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HA ' " O3'" ' C' ' 352' ' ' ' DT' . 0.1 OUTLIER -96.67 40.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.52 127.07 8.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.637 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 30.9 p30 -141.94 -164.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 13.8 m-85 -147.7 143.1 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.1 m0 -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 ' HB ' HG21 ' A' ' 62' ' ' VAL . 72.8 m -116.99 142.77 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.653 HD13 ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -120.54 162.51 19.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.438 ' O ' HD21 ' A' ' 79' ' ' LEU . 3.7 t70 -81.67 144.76 53.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.02 81.52 2.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.1 mt-30 163.66 43.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 90.3 p -72.94 -53.36 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.55 -53.52 56.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.13 -41.51 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 33.2 ttp -62.42 -54.19 43.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -54.9 -42.15 71.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -68.99 -53.05 22.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -39.5 -56.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.24 -55.84 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.86 38.58 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -152.11 53.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.2 145.79 45.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.507 ' NH1' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 65.0 125.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.495 ' NH1' ' NH2' ' A' ' 98' ' ' ARG . 16.0 mtt85 -52.22 -52.82 50.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 95' ' ' ARG . 0.9 OUTLIER 177.1 -61.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 89.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.507 ' NH1' ' NH1' ' A' ' 94' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.476 3 O4'-C4'-C3' 96.427 -9.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.468 1.997 4 C5'-C4'-O4' 95.204 -8.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.61 14.954 3 C5'-C4'-O4' 151.513 26.321 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 3.814 4 C5'-C4'-O4' 133.049 14.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.562 10.565 3 C5'-C4'-O4' 150.777 25.861 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.534 " C1'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.071 -34.058 3 C5'-C4'-O4' 134.491 15.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.301 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.688 21.973 3 C5'-C4'-O4' 148.112 24.195 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.586 ' C4 ' ' C2 ' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.62 15.845 3 C5'-C4'-O4' 141.066 19.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 1.28 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.68 21.233 3 C5'-C4'-O4' 156.118 29.199 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.781 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.599 13.878 3 C5'-C4'-O4' 139.38 18.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.42 ' N6 ' ' HB2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.616 15.458 3 C5'-C4'-O4' 148.178 24.236 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.239 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.708 23.83 3 C5'-C4'-O4' 159.583 31.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.362 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.645 18.11 3 C5'-C4'-O4' 149.041 24.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.547 9.179 4 C5'-C4'-O4' 149.606 25.129 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.596 13.607 3 C5'-C4'-O4' 149.969 25.356 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.571 11.346 3 O4'-C4'-C3' 95.427 -10.173 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . 1.293 " O4'" " C4'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.636 17.227 3 C5'-C4'-O4' 145.165 22.353 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.381 -5.952 4 O4'-C4'-C3' 98.058 -7.542 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.418 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.587 12.815 3 O4'-C4'-C3' 93.893 -11.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.646 4 C5'-C4'-O4' 138.931 18.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.541 " O3'" ' HA ' ' A' ' 73' ' ' LYS . . . . . . . . 1 O4'--C4' 1.168 -25.246 2 C1'-O4'-C4' 116.43 4.807 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.479 " O3'" ' O ' ' A' ' 64' ' ' ILE . . . . . . . . 1 O4'--C4' 1.379 -6.095 4 C5'-C4'-O4' 149.963 25.352 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.519 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 0 C3'--C2' 1.503 -1.458 4 C5'-C4'-O4' 133.073 14.795 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.539 " H4'" ' OP1' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.108 -30.724 3 C5'-C4'-O4' 128.761 12.101 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.539 ' OP1' " H4'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.31 -12.342 4 C5'-C4'-O4' 147.998 24.124 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.334 4 C5'-C4'-O4' 121.586 7.616 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.613 15.226 3 C5'-C4'-O4' 155.762 28.976 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.156 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.55 3 O4'-C4'-C3' 80.852 -24.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.412 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.327 -10.844 3 C5'-C4'-O4' 90.237 -11.977 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.509 5.76 4 C5'-C4'-O4' 147.019 23.512 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.413 4 C5'-C4'-O4' 149.616 25.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.592 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.404 -3.854 3 C1'-O4'-C4' 115.912 4.437 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.592 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.598 13.816 2 O4'-C4'-C3' 93.454 -12.146 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.192 -23.116 3 C5'-C4'-O4' 96.353 -8.155 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 39' ' ' TYR . 11.9 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.54 ' HG3' ' HD2' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 170.58 143.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.54 ' HD2' ' HG3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 94' ' ' ARG . 18.1 Cg_endo -75.09 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.93 113.34 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.486 ' OG ' ' OP2' ' B' ' 256' ' ' ' DA' . 2.5 p -72.17 176.08 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 23.4 m-85 -82.12 -20.17 38.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -48.07 -43.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG1' ' A' ' 13' ' ' THR . . . -65.05 -52.01 58.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 37' ' ' PHE . 45.3 mt -54.31 -37.82 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 55' ' ' LEU . 1.1 mp -68.6 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 87' ' ' PHE . 1.6 p -41.6 -33.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 11.6 ttp -79.9 -40.71 27.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -59.71 -26.66 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' CG2' HD11 ' A' ' 79' ' ' LEU . 31.0 mm -84.08 -56.47 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 13' ' ' THR . 0.8 OUTLIER -55.03 -45.62 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -47.5 -40.27 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 31.0 p -68.35 108.59 2.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 -4.18 15.02 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.1 33.72 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 29.66 64.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 19' ' ' SER . 13.5 ttmt -174.65 142.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 29' ' ' ILE . 2.1 pt? -157.98 167.5 29.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.49 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 6.9 m -121.74 143.07 49.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.9 tm? -59.12 -56.38 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.6 p -47.68 -55.83 8.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.94 -34.97 81.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.528 HD11 ' N ' ' A' ' 29' ' ' ILE . 1.1 mp -63.68 -53.32 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' N ' HG21 ' A' ' 29' ' ' ILE . 30.3 t -48.96 -42.93 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -73.12 -22.35 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 32' ' ' PHE . 37.8 mm -80.44 -43.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 43.5 p -69.16 -57.64 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.2 -46.81 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 10.0 mmm180 -64.03 -54.28 36.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE1' HD23 ' A' ' 11' ' ' LEU . 39.5 m-85 -118.0 119.84 33.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 2' ' ' VAL . 19.4 m-85 -54.4 -38.95 66.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.79 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.5 m-30 -64.99 -36.82 85.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 4.2 ttt180 -79.97 -22.33 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.82 -58.91 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' PHE . 5.6 mtmt -71.61 -53.72 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.643 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.6 t80 23.37 62.1 0.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -25.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' SER . . . 176.26 59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CH2' ' CG ' ' A' ' 40' ' ' TYR . 18.6 m95 -80.44 -11.88 59.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.002 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.8 tt0 -62.8 -55.43 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.48 -36.25 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -58.38 -52.39 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 52' ' ' ARG . 1.2 tp -69.81 -52.07 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.4 mtt180 -56.9 -28.18 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.619 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 76.0 t60 -74.88 -58.09 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -66.86 -14.77 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 61' ' ' PHE . 10.3 tp -84.13 -55.16 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.02 -51.64 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.964 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 mm? -80.55 91.37 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 151.17 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 6.9 m-20 -81.19 -41.63 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 47.3 m 67.52 74.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -128.96 -145.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 33.3 m -134.86 156.25 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -136.98 177.27 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mm -119.09 113.56 35.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.1 Cg_endo -75.04 178.58 7.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' CD ' " O4'" ' C' ' 352' ' ' ' DT' . 11.1 tpt180 -37.55 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -128.54 164.47 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.96 -76.68 1.05 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -138.81 129.02 14.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.41 -88.26 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.0 OUTLIER -144.85 61.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.5 114.26 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -141.16 -173.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -147.8 129.12 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.638 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 12.0 m0 -121.7 140.25 52.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 108.035 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 52.6 m -130.72 139.69 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 80' ' ' ASP . 8.3 tt -115.79 156.49 25.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.498 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.2 m-20 -68.67 157.41 88.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -165.15 37.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.434 ' HA ' ' SD ' ' A' ' 86' ' ' MET . 2.1 t -79.48 -31.47 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -33.7 28.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -55.02 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 83' ' ' SER . 3.3 ptm -62.32 -11.56 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.65 30.97 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.69 -43.54 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -43.89 -53.4 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.24 -174.59 8.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 92' ' ' PHE . 31.9 t -132.33 49.35 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' SER . 58.1 t80 58.72 46.37 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.96 169.2 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 5' ' ' PRO . 2.6 mmm180 -52.61 175.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.464 ' NE ' ' OP1' ' B' ' 256' ' ' ' DA' . 0.0 OUTLIER -55.48 -51.6 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.98 64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.31 133.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.471 ' NH1' " H5'" ' B' ' 255' ' ' ' DA' . 2.8 tpp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.587 12.821 3 C5'-C4'-O4' 85.326 -15.047 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.204 -22.033 3 C1'-O4'-C4' 120.85 7.964 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.516 6.397 4 C5'-C4'-O4' 131.841 14.026 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.09 4 C5'-C4'-O4' 130.894 13.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.396 4 C5'-C4'-O4' 148.167 24.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.525 " H4'" ' OP1' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.1 -31.422 3 C5'-C4'-O4' 138.552 18.22 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.734 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.168 -25.287 3 C5'-C4'-O4' 141.313 19.946 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.291 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.69 22.204 3 C5'-C4'-O4' 159.543 31.339 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.619 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.524 7.132 4 C5'-C4'-O4' 153.974 27.859 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.604 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.429 -1.507 4 C5'-C4'-O4' 149.402 25.002 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.431 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.562 10.569 3 C5'-C4'-O4' 136.194 16.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.168 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.85 36.708 3 C5'-C4'-O4' 155.799 29.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.305 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.639 17.578 3 C5'-C4'-O4' 149.049 24.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.624 16.201 3 C5'-C4'-O4' 154.226 28.016 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.57 11.303 3 C5'-C4'-O4' 149.702 25.189 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.402 " H4'" ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 1 O4'--C4' 1.515 6.286 4 O4'-C4'-C3' 94.805 -10.795 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.583 12.478 3 C5'-C4'-O4' 146.036 22.897 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.471 2.243 4 C5'-C4'-O4' 129.899 12.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.436 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.589 13.004 3 O4'-C4'-C3' 93.674 -11.926 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.507 5.523 3 C5'-C4'-O4' 130.352 13.095 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.456 " O4'" ' CD ' ' A' ' 66' ' ' ARG . . . . . . . . 1 O4'--C4' 1.534 8.031 3 C5'-C4'-O4' 126.576 10.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.481 " O5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.611 14.979 3 C5'-C4'-O4' 150.608 25.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.433 ' OP1' ' NE1' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.616 15.449 3 C5'-C4'-O4' 156.926 29.704 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.443 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.535 8.067 3 C5'-C4'-O4' 139.159 18.599 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.443 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.474 2.567 4 C5'-C4'-O4' 141.978 20.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.604 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.591 13.185 3 C5'-C4'-O4' 143.214 21.133 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.579 12.133 3 C5'-C4'-O4' 154.522 28.201 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.158 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.809 32.99 3 C5'-C4'-O4' 154.693 28.308 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.508 4 O4'-C4'-C3' 97.444 -8.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . 1.379 " O4'" " C4'" ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.631 16.776 3 C5'-C4'-O4' 154.03 27.894 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.297 4 C5'-C4'-O4' 149.058 24.786 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 1.04 " O4'" " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.893 40.607 3 C5'-C4'-O4' 166.774 35.859 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.285 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.738 26.559 3 O4'-C4'-C3' 82.462 -23.138 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . 0.49 " C5'" " H1'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.177 -24.431 3 C5'-C4'-O4' 93.946 -9.659 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 39' ' ' TYR . 2.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.73 169.68 1.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.604 ' O ' ' CE1' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -74.95 160.43 40.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.23 13.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 2.1 m-85 -140.22 179.74 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 79.8 p -69.34 109.47 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.538 ' OH ' ' CE2' ' A' ' 44' ' ' PHE . 4.1 m-85 -58.21 -25.03 61.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -50.57 -40.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -66.04 -55.72 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.64 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -49.73 -35.96 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG2' HD11 ' A' ' 55' ' ' LEU . 1.1 mp -73.08 -41.07 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 18.4 m -51.43 -48.69 62.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 18.2 ptm -74.08 -30.32 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -65.14 -31.69 73.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 79' ' ' LEU . 32.6 mm -79.84 -49.66 18.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' N ' HD21 ' A' ' 17' ' ' LEU . 4.4 mm? -58.26 -27.75 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -56.91 -28.09 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.442 ' OG ' ' CD2' ' A' ' 24' ' ' LEU . 18.6 p -111.37 95.08 24.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 14.96 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -114.5 13.19 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 40.14 59.02 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 112.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -144.6 173.71 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 p -111.96 123.82 51.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -48.08 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -60.42 -51.17 70.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.1 -45.08 83.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.84 -44.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -35.22 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.34 -39.78 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.3 -30.56 71.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.584 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 2.3 mt -79.2 -57.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -33.81 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 5.6 mmm180 -63.71 -31.02 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE1' ' CD2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -137.76 88.47 16.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 9.8 p90 -73.88 -28.07 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -63.86 -50.15 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -63.56 -20.1 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.29 -40.48 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.97 10.38 41.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CZ ' " H3'" ' B' ' 257' ' ' ' DT' . 1.0 OUTLIER -148.53 71.14 10.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.76 3.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.26 63.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CZ3' HD11 ' A' ' 51' ' ' ILE . 4.2 m95 -107.33 12.87 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 1.1 tm0? -78.48 -71.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -75.84 -29.85 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -53.9 -56.14 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 3.8 tp -70.67 -47.82 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.49 -37.19 56.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.59 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 37.2 t-80 -66.91 -58.3 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 34.2 m120 -67.1 -12.03 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' CZ3' ' A' ' 77' ' ' TRP . 20.9 tp -85.02 -57.86 2.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -78.02 -50.58 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD21 ' CE1' ' A' ' 53' ' ' HIS . 5.2 tt -76.56 77.9 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.93 -51.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 21.6 m-20 -80.15 -45.44 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m 68.88 65.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -118.78 -160.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.414 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 92.9 t -119.65 147.96 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 164.33 30.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 65' ' ' PRO . 1.4 pp -118.16 129.03 25.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.511 ' HB3' " C5'" ' C' ' 354' ' ' ' DG' . 18.2 Cg_endo -75.0 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' N ' " H4'" ' C' ' 353' ' ' ' DT' . 1.6 ttt180 -48.02 92.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.5 mt-10 -87.74 165.03 32.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 58.26 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 36.95 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -125.38 79.31 66.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' O ' " H3'" ' C' ' 352' ' ' ' DT' . . . 94.29 -76.31 1.0 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 54.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -106.28 69.81 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 34.7 p-10 -109.68 166.07 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 64' ' ' ILE . 8.7 m-85 -133.91 140.33 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.612 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 9.5 m0 -125.59 138.49 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 20.1 m -120.26 152.02 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -117.0 152.05 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.65 165.94 32.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.83 4.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 86' ' ' MET . 23.0 tt0 -175.09 36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 41.5 t -78.66 -52.18 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.89 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -41.86 71.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 49.1 ttp -65.66 -56.71 10.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 5.0 m-85 -60.99 -32.2 71.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -55.91 29.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -81.92 49.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.43 -104.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -178.24 63.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER 51.18 39.37 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' PHE . 1.7 tp 84.99 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -68.33 -167.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.591 ' CZ ' ' NH2' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -65.41 -44.23 88.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 36.33 47.52 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -159.15 -67.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 51.9 ttp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 4 O4'-C4'-C3' 98.343 -7.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.334 -10.18 4 C1'-O4'-C4' 118.699 6.428 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 1.279 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.737 26.416 3 C5'-C4'-O4' 156.993 29.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.327 -10.817 4 C5'-C4'-O4' 147.48 23.8 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . 0.509 ' C2 ' ' HD2' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.175 -24.614 3 C5'-C4'-O4' 89.541 -12.412 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.548 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.07 -34.19 3 C1'-O4'-C4' 123.497 9.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.682 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.17 -25.087 3 C5'-C4'-O4' 141.917 20.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.691 " H4'" ' OP1' ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.117 -29.867 3 C5'-C4'-O4' 140.313 19.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.691 ' OP1' " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.563 10.651 3 C5'-C4'-O4' 147.889 24.056 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.617 ' C8 ' ' C2 ' ' B' ' 257' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.462 1.449 3 C5'-C4'-O4' 121.669 7.668 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.479 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.573 11.507 3 C5'-C4'-O4' 145.977 22.861 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.178 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.825 34.48 3 C5'-C4'-O4' 154.952 28.47 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 0.597 ' C2 ' ' C2 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.566 10.873 3 C5'-C4'-O4' 142.244 20.528 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.48 4 C5'-C4'-O4' 145.495 22.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.4 4 C5'-C4'-O4' 147.082 23.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.497 " C2'" " O5'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.119 -29.735 3 C5'-C4'-O4' 94.638 -9.226 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . 0.497 " O5'" " C2'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.25 -17.855 4 C5'-C4'-O4' 146.179 22.987 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.04 4 C5'-C4'-O4' 127.67 11.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.566 10.924 3 O4'-C4'-C3' 94.944 -10.656 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.422 4 C5'-C4'-O4' 128.521 11.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.451 " H3'" ' O ' ' A' ' 72' ' ' GLY . . . . . . . . 0 C3'--C2' 1.503 -1.452 3 C5'-C4'-O4' 124.447 9.405 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.442 " H4'" ' N ' ' A' ' 66' ' ' ARG . . . . . . . . 1 O4'--C4' 1.58 12.207 3 C5'-C4'-O4' 149.922 25.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.597 ' C2 ' ' C2 ' ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.505 5.393 4 C5'-C4'-O4' 136.177 16.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.522 " H4'" ' OP1' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.094 -31.987 3 C5'-C4'-O4' 129.003 12.252 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.522 ' OP1' " H4'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.294 -13.789 4 C5'-C4'-O4' 147.527 23.83 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.613 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.468 4 C5'-C4'-O4' 126.946 10.967 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.541 8.671 4 C5'-C4'-O4' 154.038 27.899 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.257 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.745 27.197 3 C5'-C4'-O4' 160.362 31.851 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.509 4 C5'-C4'-O4' 94.623 -9.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.527 7.384 3 C5'-C4'-O4' 140.056 19.16 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.381 -5.915 4 C5'-C4'-O4' 146.698 23.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.623 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.509 5.742 2 O4'-C4'-C3' 99.054 -6.546 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.347 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.635 17.207 3 O4'-C4'-C3' 93.05 -12.55 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.197 -22.631 3 C1'-O4'-C4' 120.795 7.925 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 76.61 2.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.97 113.85 3.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -75.01 -49.77 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' A' ' 5' ' ' PRO . 2.3 m-85 -105.02 150.59 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.509 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 51.1 m -77.89 -167.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.5 m-85 -63.4 -50.67 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.91 -47.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . . . -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 37' ' ' PHE . 4.5 mm? -58.61 -33.9 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 8' ' ' TYR . 2.7 mm -66.1 -57.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.552 ' OG1' ' CE1' ' A' ' 87' ' ' PHE . 16.2 m -43.09 -49.73 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.7 ptm -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -79.2 -55.63 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 79' ' ' LEU . 36.2 mm -54.18 -35.51 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -64.97 -12.16 46.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 8.2 mm100 -71.38 -35.68 71.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 23' ' ' LYS . 24.1 p -126.11 66.33 59.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.04 53.96 3.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 13.1 tt0 -138.96 -78.23 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 172.52 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -179.93 133.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' C ' ' HB2' ' A' ' 77' ' ' TRP . 8.8 tp -156.75 172.45 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -157.94 117.94 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -50.08 -52.5 34.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 p -47.83 -46.85 31.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.47 85.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -66.1 -59.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 2.0 t -49.6 -39.27 34.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -34.03 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -80.82 -17.18 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 32' ' ' PHE . 30.9 mm -81.55 -56.18 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -57.97 -35.38 71.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.55 -48.58 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -74.63 -37.17 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 11' ' ' LEU . 14.8 m-85 -135.86 96.94 12.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD1' ' A' ' 40' ' ' TYR . 20.3 p90 -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.688 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -55.17 -46.44 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -33.85 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.71 -25.32 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -31.72 41.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE1' ' OP2' ' B' ' 258' ' ' ' DA' . 16.5 t80 -144.91 102.19 4.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.82 67.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 4.5 m95 -106.2 13.02 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.953 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CG ' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -76.08 -77.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 50' ' ' SER . 5.9 p30 -64.8 -29.91 70.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.585 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 1.9 m -58.76 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 33' ' ' ILE . 4.2 tt -64.38 -46.54 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 52' ' ' ARG . 1.1 tmm_? -51.78 -41.28 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 15.0 t-80 -59.09 -54.58 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.39 -11.59 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD11 ' CZ3' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -83.07 -60.48 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -74.24 -49.32 23.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -78.76 75.97 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 169.74 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 72.6 m-20 -80.02 -56.88 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.9 m 89.08 72.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 1.1 p90 -127.45 -167.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -119.33 138.83 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -122.83 -179.61 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 10.0 mm -119.59 118.67 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -36.43 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' PRO . 18.6 tt0 -107.6 141.54 23.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.01 61.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.51 -58.8 0.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.5 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -137.81 121.16 11.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 150.37 -91.4 0.14 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 56.33 1.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.56 108.87 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 77' ' ' TRP . 20.8 p-10 -135.73 -168.38 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.532 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -141.77 143.5 33.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.667 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.0 m0 -131.02 144.13 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 28.8 m -132.57 128.29 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 ' CD1' HD13 ' A' ' 16' ' ' ILE . 2.7 tt -117.22 155.3 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.06 148.14 88.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 80.34 2.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.32 40.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.2 p -74.91 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -48.78 -30.6 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.02 -41.45 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.568 ' HE3' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 tmm? -59.03 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 86' ' ' MET . 61.8 m-85 -73.68 -46.6 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -57.51 -42.7 83.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -40.6 127.23 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.2 54.44 2.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.96 -44.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -95.47 22.59 6.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 95' ' ' ARG . 2.5 pp -73.55 157.04 37.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' NH1' ' OP1' ' B' ' 256' ' ' ' DA' . 13.5 ttt85 -85.89 55.3 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 96' ' ' ARG . 0.8 OUTLIER 71.03 -4.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' C ' ' O ' ' A' ' 95' ' ' ARG . 0.1 OUTLIER 29.63 42.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -173.66 -78.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' CZ ' ' NH1' ' A' ' 95' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.588 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.15 -26.954 3 C5'-C4'-O4' 90.944 -11.535 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.588 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.871 4 O4'-C4'-C3' 97.769 -7.831 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.622 15.971 3 C5'-C4'-O4' 156.808 29.63 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.423 4 C5'-C4'-O4' 138.43 18.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.548 9.279 3 C5'-C4'-O4' 152.722 27.076 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.559 " H4'" ' OP1' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.077 -33.511 3 C5'-C4'-O4' 133.373 14.983 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.587 " C1'" " O5'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.098 -31.622 3 C5'-C4'-O4' 138.981 18.488 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.369 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.643 17.927 3 C5'-C4'-O4' 148.513 24.445 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.527 " C2'" " O5'" ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.098 -31.636 2 C1'-O4'-C4' 121.272 8.265 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.75 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.397 -4.423 4 C5'-C4'-O4' 148.611 24.507 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.415 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.849 4 C5'-C4'-O4' 141.834 20.271 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.114 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.852 36.893 3 C5'-C4'-O4' 156.523 29.452 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.604 14.361 3 C5'-C4'-O4' 156.013 29.133 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.394 -4.749 4 C5'-C4'-O4' 147.863 24.04 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 0.491 " C2'" " O5'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.109 -30.633 3 C5'-C4'-O4' 92.641 -10.474 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.491 " O5'" " C2'" ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.409 3 C5'-C4'-O4' 151.575 26.359 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.524 7.13 4 C5'-C4'-O4' 148.204 24.253 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.394 -4.746 3 O4'-C4'-C3' 99.031 -6.569 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.411 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.549 9.381 3 O4'-C4'-C3' 95.343 -10.257 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.451 4 C5'-C4'-O4' 132.138 14.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.425 " O5'" ' O ' ' A' ' 72' ' ' GLY . . . . . . . . 0 O4'--C4' 1.416 -2.702 3 O4'-C4'-C3' 101.138 -4.462 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.404 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.509 5.722 4 C5'-C4'-O4' 150.454 25.658 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 1.339 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.663 19.722 3 C5'-C4'-O4' 154.292 28.058 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.536 ' C5 ' ' C4 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.479 2.981 3 C5'-C4'-O4' 130.605 13.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.559 10.235 3 C5'-C4'-O4' 148.826 24.641 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.75 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.345 3 C5'-C4'-O4' 131.748 13.968 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.665 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.077 -33.539 3 C5'-C4'-O4' 136.753 17.096 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.239 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.706 23.673 3 C5'-C4'-O4' 159.133 31.083 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.279 4 C5'-C4'-O4' 87.942 -13.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.556 10.044 3 C5'-C4'-O4' 138.932 18.457 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.362 -7.638 4 C5'-C4'-O4' 143.55 21.344 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.568 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.399 -4.276 3 C1'-O4'-C4' 115.872 4.409 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.568 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.188 2 O4'-C4'-C3' 92.959 -12.641 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.229 -19.709 3 C5'-C4'-O4' 94.361 -9.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.71 156.31 71.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 6' ' ' TYR . 18.1 Cg_endo -75.05 167.63 26.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.547 1.814 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' O ' ' NH2' ' A' ' 94' ' ' ARG . 18.2 Cg_endo -75.03 40.18 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' CD2' ' O ' ' A' ' 7' ' ' SER . 1.7 p90 -101.53 146.73 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.497 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 9.7 t -90.99 -179.94 5.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' N ' ' OG ' ' A' ' 7' ' ' SER . 31.4 m-85 -80.51 -24.16 39.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -40.9 -38.62 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.422 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.78 -52.13 65.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD23 ' CE2' ' A' ' 37' ' ' PHE . 15.1 mt -60.2 -34.3 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.521 HG22 ' CD2' ' A' ' 55' ' ' LEU . 19.7 mm -64.62 -60.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.653 ' CG2' ' CE1' ' A' ' 87' ' ' PHE . 22.7 p -45.71 -37.06 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 37.4 ttp -79.33 -29.31 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -67.74 -35.12 78.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 HD11 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -83.84 -48.04 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 17' ' ' LEU . 3.9 mm? -56.21 -51.19 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.1 pp0? -47.7 -28.6 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -118.71 75.93 13.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 5.28 4.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -9.38 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 66.97 58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER 179.23 105.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -141.2 160.2 40.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 51.9 p -115.3 122.48 46.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.0 tm? -46.72 -44.15 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 88.7 p -57.02 -56.53 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.66 -35.32 66.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -64.7 -51.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' SG ' ' CZ3' ' A' ' 47' ' ' TRP . 51.8 t -50.32 -45.53 54.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.252 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.76 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -23.87 60.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 29' ' ' ILE . 26.3 mm -77.4 -57.29 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 p -55.2 -46.51 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -50.88 -45.22 59.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -67.58 -51.1 54.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' HD23 ' A' ' 11' ' ' LEU . 2.6 m-85 -124.74 100.8 33.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 46.1 p90 -55.72 -37.3 68.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 2.1 t80 -54.23 -40.89 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.72 -35.14 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.39 -11.38 60.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 2.5 tmtt? -105.6 -36.02 7.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.663 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 2.3 t80 -141.09 68.37 27.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . -178.35 61.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.629 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -111.72 21.18 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 tt0 -54.7 -63.5 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.49 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 0.0 OUTLIER -78.03 -27.62 48.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -60.13 -54.92 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -69.7 -49.25 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.0 mpp_? -50.56 -50.77 52.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.664 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 42.4 t-80 -55.71 -58.31 8.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.21 -13.06 15.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.521 ' CD2' HG22 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -82.71 -59.97 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -74.05 -51.55 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 3.9 mm? -71.8 66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 169.46 -55.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.615 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.1 m-20 -75.49 -45.23 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 13.2 m 70.44 60.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.615 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -121.91 -163.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.46 151.86 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -138.66 160.88 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 76' ' ' TYR . 12.2 tt -116.57 134.24 22.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.454 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -75.0 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.88 115.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 9.6 mm-40 -98.56 149.59 35.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.27 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.95 -61.5 6.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.97 100.97 6.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.3 Cg_endo -74.94 -96.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 20.52 -91.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' PRO . 23.0 mtpt -139.36 41.11 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.4 122.36 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.0 p-10 -149.49 172.04 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -132.98 140.0 47.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 10.1 m0 -130.13 133.67 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.593 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 56.7 m -117.47 129.45 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 5.2 tt -115.35 152.19 33.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.27 148.27 83.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -74.98 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 170.76 37.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' MET . 85.3 p -82.08 -52.9 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -55.04 -26.17 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.76 -40.48 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -60.18 -51.75 68.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -67.18 -28.23 67.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.38 -41.3 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -43.16 -53.71 4.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.73 -141.87 1.66 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.72 47.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 0.72 . . . . 0.0 109.993 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 56.81 46.57 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 138.39 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -72.32 108.23 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 13.4 tpp180 70.72 72.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -158.01 72.98 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 64.48 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.416 " H4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.736 3 C5'-C4'-O4' 92.167 -10.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.416 ' OP1' " H4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.435 4 C5'-C4'-O4' 96.037 -8.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.623 16.055 3 C5'-C4'-O4' 157.648 30.155 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.367 -7.193 4 C5'-C4'-O4' 147.005 23.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.207 -21.739 3 C1'-O4'-C4' 120.113 7.438 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.484 " H1'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.888 3 C5'-C4'-O4' 93.66 -9.837 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.691 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.157 -26.269 3 C5'-C4'-O4' 140.064 19.165 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.691 ' OP1' " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.507 5.582 3 C5'-C4'-O4' 153.969 27.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.546 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.357 -8.075 4 C5'-C4'-O4' 146.452 23.158 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.577 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.464 1.643 3 C5'-C4'-O4' 118.032 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.49 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.519 6.641 3 C5'-C4'-O4' 136.006 16.629 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.285 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.631 16.815 3 C5'-C4'-O4' 151.422 26.264 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 0.523 " H4'" ' OP1' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.09 -32.374 3 C5'-C4'-O4' 132.348 14.342 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . 0.523 ' OP1' " H4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.296 -13.612 4 C5'-C4'-O4' 146.526 23.204 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 0.493 " C2'" " O5'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.135 -28.262 3 C5'-C4'-O4' 93.595 -9.878 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.493 " O5'" " C2'" ' B' ' 263' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.021 3 C5'-C4'-O4' 150.649 25.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.526 7.288 4 C5'-C4'-O4' 147.097 23.561 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.37 4 O4'-C4'-C3' 98.372 -7.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.406 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.553 9.755 3 O4'-C4'-C3' 94.894 -10.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.57 4 C5'-C4'-O4' 138.363 18.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.43 " O5'" ' O ' ' A' ' 72' ' ' GLY . . . . . . . . 1 O4'--C4' 1.394 -4.743 3 C5'-C4'-O4' 121.718 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.454 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.553 9.735 3 C5'-C4'-O4' 153.144 27.34 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.497 ' N7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.603 14.318 3 O4'-C4'-C3' 93.452 -12.148 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.408 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.49 4.001 3 C5'-C4'-O4' 128.095 11.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.408 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.541 8.609 3 C5'-C4'-O4' 137.421 17.513 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.664 ' N6 ' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.564 10.707 3 C5'-C4'-O4' 138.482 18.176 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.577 11.954 3 C5'-C4'-O4' 153.7 27.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.179 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.821 34.06 3 O4'-C4'-C3' 80.135 -25.465 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 4 C5'-C4'-O4' 87.742 -13.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.554 9.785 3 C5'-C4'-O4' 140.062 19.163 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.367 -7.212 4 C5'-C4'-O4' 146.154 22.971 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.615 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.413 -3.017 4 O4'-C4'-C3' 101.043 -4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.615 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.599 13.869 2 O4'-C4'-C3' 93.161 -12.439 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.239 -18.826 3 C5'-C4'-O4' 95.829 -8.482 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.611 ' N ' ' CG ' ' A' ' 39' ' ' TYR . 10.3 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER 177.22 174.8 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.03 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.94 40.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.81 161.18 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.663 ' HA ' ' P ' ' B' ' 256' ' ' ' DA' . 13.6 p -67.62 113.78 5.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.5 m-85 -56.08 -37.18 68.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.555 HG13 ' N ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -40.01 -36.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -82.61 -54.91 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' MET . 5.9 mt -47.07 -33.27 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' A' ' 55' ' ' LEU . 46.8 mm -79.87 -44.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.447 HG22 ' CG ' ' A' ' 87' ' ' PHE . 1.2 m -45.16 -44.87 11.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 7.6 ptt? -82.05 -37.34 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -56.14 -32.27 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 79' ' ' LEU . 24.1 mm -86.26 -51.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.75 -40.9 73.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp0? -40.05 -37.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -74.67 112.77 18.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.94 -0.26 9.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -120.72 19.59 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 35.4 54.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' C ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -165.05 136.05 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 77' ' ' TRP . 1.7 pt? -170.21 -177.28 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 p -117.57 135.4 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -48.9 -46.12 42.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 31.1 t -48.72 -49.76 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -27.39 58.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.41 -49.75 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.403 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -50.44 -43.36 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.31 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 13.7 t80 -62.18 -31.33 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.513 HD12 ' CD2' ' A' ' 32' ' ' PHE . 49.5 mm -82.32 -44.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -59.26 -55.82 29.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -48.96 -34.06 12.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -72.81 -52.76 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.13 122.32 32.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.611 ' CG ' ' N ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -55.13 -36.75 66.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 3.0 m-85 -64.44 -40.25 95.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.03 -23.51 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -58.0 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' PHE . 8.5 ttpt -69.49 -56.33 7.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 1.2 t80 31.46 64.69 1.05 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.05 14.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . . . 174.85 54.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 5.4 m95 -70.33 -3.54 17.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -67.76 -75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 50' ' ' SER . 21.1 p30 -75.02 -28.52 60.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 41.5 t -57.39 -57.58 12.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 5.3 mt -64.58 -53.85 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -49.56 -38.3 30.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.655 ' CE1' ' CD2' ' A' ' 57' ' ' LEU . 6.7 t60 -61.46 -56.5 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 28.6 m120 -69.58 -8.51 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' CD2' HG22 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -83.13 -57.95 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -82.02 -48.58 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.024 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.655 ' CD2' ' CE1' ' A' ' 53' ' ' HIS . 1.3 tp -68.72 79.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.515 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.8 m120 160.44 -49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.583 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -79.37 -64.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.8 t 95.34 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -117.79 -163.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.48 154.39 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 179.49 6.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.3 mm -119.8 118.55 31.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 -171.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PRO . 6.1 mt-10 -113.12 166.68 10.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.72 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.75 -75.78 1.17 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -139.76 124.82 11.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.58 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.54 -93.56 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.9 OUTLIER -143.14 55.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' N ' ' OP1' ' C' ' 353' ' ' ' DT' . . . -130.51 137.02 9.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -162.0 -165.75 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 35.9 m-85 -135.4 144.67 46.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 7.2 m95 -137.74 142.48 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 59.1 m -140.89 137.48 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -120.11 147.09 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -92.08 164.07 24.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.35 3.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 83' ' ' SER . 10.3 pt20 -121.91 -39.86 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 15.3 t -52.95 -43.33 66.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.79 -53.31 59.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.29 -37.72 84.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -60.3 -43.42 96.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CG ' HG22 ' A' ' 13' ' ' THR . 0.5 OUTLIER -67.76 -53.28 28.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -47.04 -49.45 21.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -56.17 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.3 46.68 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 93' ' ' LEU . 29.6 m-85 -133.73 -42.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 3.3 mp 71.32 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' NH1' ' NH1' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -70.13 -153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' CZ ' ' NH2' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -112.5 39.49 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.89 -45.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -61.36 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.581 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.441 " H1'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.556 10.009 3 O4'-C4'-C3' 91.951 -13.649 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.441 " C5'" " H1'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.472 2.402 4 C5'-C4'-O4' 95.109 -8.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 1.222 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.641 17.735 3 C5'-C4'-O4' 155.089 28.556 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . 0.402 ' C7 ' " C2'" ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.517 4 C5'-C4'-O4' 134.777 15.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . 0.411 ' N3 ' ' HD2' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.514 6.162 4 C5'-C4'-O4' 152.761 27.101 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.665 " H4'" ' OP1' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.106 -30.931 3 C5'-C4'-O4' 137.957 17.848 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.665 ' OP1' " H4'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.542 8.768 3 C5'-C4'-O4' 153.538 27.586 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.663 ' P ' ' HA ' ' A' ' 7' ' ' SER . . . . . . . . 1 O4'--C4' 1.091 -32.297 3 C1'-O4'-C4' 121.83 8.664 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 1.199 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.558 3 C5'-C4'-O4' 154.094 27.934 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.801 " H4'" ' OP1' ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.105 -30.978 3 C5'-C4'-O4' 139.663 18.915 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.801 ' OP1' " H4'" ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.101 -31.352 3 C5'-C4'-O4' 139.644 18.903 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.238 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.733 26.074 3 C5'-C4'-O4' 158.355 30.597 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.387 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.637 17.404 3 C5'-C4'-O4' 150.154 25.471 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.596 13.616 3 C5'-C4'-O4' 154.896 28.435 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.582 12.335 3 C5'-C4'-O4' 148.6 24.5 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.496 4.566 4 C5'-C4'-O4' 134.552 15.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.549 9.374 4 C5'-C4'-O4' 150.664 25.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.484 4 C5'-C4'-O4' 129.977 12.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.575 11.685 3 O4'-C4'-C3' 94.12 -11.48 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.496 4.555 4 C5'-C4'-O4' 138.121 17.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.064 1 O4'-C1'-N19 111.174 4.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.493 ' OP1' ' N ' ' A' ' 74' ' ' GLY . . . . . . . . 1 O4'--C4' 1.567 11.012 3 C5'-C4'-O4' 152.398 26.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.573 ' C2 ' ' C2 ' ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.57 11.24 3 O4'-C4'-C3' 94.867 -10.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.45 ' O4 ' ' N6 ' ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.504 5.267 3 C5'-C4'-O4' 135.745 16.466 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.436 4 C5'-C4'-O4' 137.204 17.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.16 3 C5'-C4'-O4' 134.129 15.456 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 1.191 " O4'" " C4'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.681 21.336 3 C5'-C4'-O4' 156.96 29.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.695 " H4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.246 3 C5'-C4'-O4' 139.144 18.59 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.695 ' OP1' " H4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.555 9.944 3 O4'-C4'-C3' 89.514 -16.086 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.374 4 C5'-C4'-O4' 140.95 19.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.333 -10.28 4 C5'-C4'-O4' 143.528 21.33 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.574 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.545 3 O4'-C4'-C3' 101.214 -4.386 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.574 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.619 15.733 3 O4'-C4'-C3' 93.534 -12.066 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.227 -19.873 3 C5'-C4'-O4' 96.361 -8.149 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HG2' ' CD ' ' A' ' 4' ' ' PRO . 4.4 mttp -176.6 174.8 0.68 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' CD ' ' HG2' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.0 142.87 28.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.92 21.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -71.14 -175.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.594 ' HA ' ' P ' ' B' ' 256' ' ' ' DA' . 82.9 p -68.36 108.96 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.514 ' O ' ' CD1' ' A' ' 12' ' ' ILE . 8.6 m-85 -52.38 -31.24 32.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -58.97 -36.54 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.73 -41.63 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 1.5 mp -64.99 -48.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.588 HG22 ' CD1' ' A' ' 87' ' ' PHE . 22.0 m -50.1 -37.27 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ttp -79.95 -28.14 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.39 -29.02 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.7 tp -87.42 -32.8 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' N ' HG21 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -75.8 -34.57 60.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp0? -52.13 -37.6 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -74.23 110.82 10.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 -3.83 14.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.78 29.23 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 21' ' ' GLN . 1.4 mppt? 34.77 60.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' C ' HD21 ' A' ' 24' ' ' LEU . 7.5 tttt -165.81 137.1 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 77' ' ' TRP . 1.7 pt? -161.43 172.05 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.6 p -121.81 123.93 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -45.56 -42.07 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.528 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 4.6 m -65.49 -56.88 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.61 52.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 1.2 mp -69.13 -46.1 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.34 57.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.96 -41.72 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.94 -29.1 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.609 HG13 ' CE2' ' A' ' 32' ' ' PHE . 3.6 mt -82.29 -55.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 p -45.08 -33.27 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.952 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.65 -47.27 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -66.79 -57.36 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 1.1 m-85 -102.51 110.5 63.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.94 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 40' ' ' TYR . 50.2 p90 -53.69 -33.47 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -61.01 -40.2 92.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -75.81 -17.58 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.2 mm-40 -72.51 -50.66 24.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -76.66 -50.33 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' TRP . 3.4 t80 16.73 64.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.04 -16.42 20.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 50' ' ' SER . . . 169.84 57.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.3 m95 -77.26 6.53 6.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 46' ' ' ALA . 1.3 tt0 -78.48 -76.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 50' ' ' SER . 22.6 p30 -74.94 -27.19 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 18.2 t -52.47 -58.1 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.624 HG13 ' N ' ' A' ' 52' ' ' ARG . 3.2 pt -71.96 -47.61 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.624 ' N ' HG13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -47.92 -35.55 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.9 t60 -72.81 -54.98 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' OD1' ' C7 ' ' B' ' 257' ' ' ' DT' . 4.8 m120 -65.4 -10.93 37.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.85 -59.74 2.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.489 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 7.0 t -76.04 -50.43 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 4.9 mp -74.29 78.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.495 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.8 m120 157.23 -52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -73.46 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER 92.73 52.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.517 ' CD2' ' CB ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -121.49 -169.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.45 146.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.37 -179.26 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.39 119.33 31.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB3' " C5'" ' C' ' 354' ' ' ' DG' . 18.3 Cg_endo -74.95 179.49 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' O ' " H4'" ' B' ' 264' ' ' ' DA' . 0.0 OUTLIER -39.38 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.76 163.54 34.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.49 4.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.57 -75.95 1.32 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -135.79 139.31 30.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -80.57 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 53.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.85 118.86 6.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 8.8 p-10 -164.78 162.33 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -129.67 148.46 51.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.643 ' CZ3' ' HG2' ' A' ' 63' ' ' LYS . 10.6 m95 -134.31 129.54 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 44.1 p -125.05 132.97 53.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -116.3 156.73 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.56 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -66.7 146.41 99.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.95 3.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 177.78 35.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 13.6 p -81.61 -34.33 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -51.95 55.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.433 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t0 -56.58 -31.66 64.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -48.18 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.588 ' CD1' HG22 ' A' ' 13' ' ' THR . 0.1 OUTLIER -67.53 -53.58 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.38 -48.69 73.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 85' ' ' ASP . 14.8 m-20 -45.28 -49.68 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.03 -55.07 5.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.97 34.78 23.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 11.1 m-85 -121.37 -30.03 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.33 -73.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.575 ' HD3' ' HB2' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -179.02 155.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.575 ' HB2' ' HD3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 76.31 70.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -143.85 -56.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 1.5 pttm -144.75 97.88 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' CG ' ' OP1' ' C' ' 364' ' ' ' DG' . 33.3 mmm-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.446 " H1'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.534 7.974 4 O4'-C4'-C3' 92.388 -13.212 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.446 " C5'" " H1'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.488 3.847 4 C5'-C4'-O4' 94.121 -9.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 1.267 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.653 18.792 3 C5'-C4'-O4' 150.505 25.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.52 6.734 4 C5'-C4'-O4' 138.442 18.151 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.536 8.155 4 C5'-C4'-O4' 151.377 26.236 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.504 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.075 -33.758 3 C5'-C4'-O4' 137.102 17.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.183 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.697 22.815 3 C5'-C4'-O4' 158.09 30.431 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.278 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.73 25.781 3 O4'-C4'-C3' 87.206 -18.394 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 1.261 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.671 20.471 3 C5'-C4'-O4' 152.648 27.03 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.58 ' N7 ' ' C2 ' ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.549 9.344 4 C5'-C4'-O4' 142.032 20.395 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 1.295 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.635 17.21 3 C5'-C4'-O4' 155.031 28.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.139 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.826 34.568 3 C5'-C4'-O4' 156.941 29.713 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.336 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.662 19.648 3 C5'-C4'-O4' 153.136 27.335 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.603 14.309 3 C5'-C4'-O4' 153.658 27.661 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.623 16.064 3 C5'-C4'-O4' 149.113 24.82 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.403 " H4'" ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 1 O4'--C4' 1.521 6.838 4 C5'-C4'-O4' 128.194 11.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.528 7.45 4 C5'-C4'-O4' 146.63 23.269 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 4 C5'-C4'-O4' 127.247 11.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.411 " H2'" " O5'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.586 12.742 3 O4'-C4'-C3' 94.077 -11.523 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.484 3.427 3 C5'-C4'-O4' 126.925 10.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.505 5.351 3 C5'-C4'-O4' 121.511 7.569 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.459 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.609 14.779 3 C5'-C4'-O4' 149.018 24.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.544 ' N7 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.626 16.375 3 C5'-C4'-O4' 144.174 21.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.504 5.318 3 C5'-C4'-O4' 132.449 14.405 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.481 3.17 4 C5'-C4'-O4' 140.841 19.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.575 " H4'" ' OP1' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.11 -30.59 3 C5'-C4'-O4' 131.991 14.119 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.575 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.523 6.967 3 C5'-C4'-O4' 154.95 28.468 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.142 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.837 35.518 3 O4'-C4'-C3' 79.108 -26.492 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.5 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.327 -10.837 3 C5'-C4'-O4' 91.155 -11.403 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.524 7.12 4 C5'-C4'-O4' 144.982 22.239 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.466 4 C5'-C4'-O4' 149.728 25.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.574 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.382 -5.852 2 C1'-O4'-C4' 116.458 4.827 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.574 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.629 16.664 3 O4'-C4'-C3' 92.758 -12.842 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.195 -22.798 3 C1'-O4'-C4' 120.843 7.959 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -106.57 -65.51 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.609 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.98 115.59 4.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.575 1.829 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB2' ' OP1' ' B' ' 257' ' ' ' DT' . 18.2 Cg_endo -74.98 129.48 12.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -120.21 155.85 32.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' HB2' ' P ' ' B' ' 256' ' ' ' DA' . 0.4 OUTLIER -70.5 152.13 44.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.534 ' CD2' HG21 ' A' ' 51' ' ' ILE . 45.1 m-85 -87.7 -8.77 55.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' THR . 2.2 pp -38.98 -43.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -60.14 -50.89 71.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD12 ' CE1' ' A' ' 37' ' ' PHE . 7.0 mt -59.81 -33.18 71.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' O ' HD11 ' A' ' 16' ' ' ILE . 20.3 mm -65.07 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.548 HG21 ' CE1' ' A' ' 87' ' ' PHE . 25.3 p -45.18 -38.52 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 22.8 ttp -78.54 -27.09 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -70.76 -36.71 73.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.497 HD13 ' CD2' ' A' ' 24' ' ' LEU . 1.9 mp -81.75 -33.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -75.44 -44.87 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.0 pp0? -60.96 -15.4 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 p -124.66 68.35 52.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 -9.99 20.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.81 -5.91 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.88 74.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.73 118.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' CD2' HD13 ' A' ' 16' ' ' ILE . 2.7 mp -123.52 175.62 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -166.88 114.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.616 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 2.6 tm? -45.58 -42.67 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 33.3 p -57.06 -51.47 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.45 -28.12 71.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.33 -59.03 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -56.09 -35.91 67.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.07 -23.34 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -31.55 37.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 37' ' ' PHE . 25.7 mt -80.92 -55.15 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.8 p -43.72 -38.78 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.39 -35.26 62.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 4.8 mmt180 -78.35 -40.78 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CE1' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -128.01 106.87 20.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD2' HG11 ' A' ' 2' ' ' VAL . 1.1 t80 -51.69 -40.74 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -61.32 -40.64 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.95 -16.11 58.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -45.59 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -44.81 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' C ' ' H ' ' A' ' 46' ' ' ALA . 17.1 t80 52.78 73.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 34.52 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 65.64 57.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE3' HD11 ' A' ' 51' ' ' ILE . 9.4 p-90 -90.33 -5.55 56.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -55.38 -37.48 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 26.9 m-20 -78.69 -31.32 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.438 ' CB ' ' CE1' ' A' ' 8' ' ' TYR . 10.9 m -61.93 -54.36 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.606 HD11 ' CE3' ' A' ' 47' ' ' TRP . 2.5 pt -65.37 -57.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' NH2' ' CD1' ' A' ' 26' ' ' LEU . 32.3 mtt180 -50.07 -38.64 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 20.6 t-80 -67.59 -56.69 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -63.62 -10.64 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD11 ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -82.46 -57.33 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -51.12 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.3 mm? -74.21 77.28 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.02 -52.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -80.07 -63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 91.32 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CD2' HD11 ' A' ' 79' ' ' LEU . 3.3 p90 -125.77 -158.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -116.6 162.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE2' " C2'" ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -148.44 167.16 26.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' O ' HG21 ' A' ' 64' ' ' ILE . 1.3 tt -116.0 122.39 32.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -177.2 3.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -43.61 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.92 162.27 52.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.31 4.35 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.91 53.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 2.6 m120 -115.43 89.45 21.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.73 4.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 105.23 -55.92 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.485 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.53 59.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -113.09 67.4 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 3.2 p-10 -138.47 170.21 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.492 ' C ' ' HD1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -154.95 153.95 31.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CZ2' ' HB2' ' A' ' 26' ' ' LEU . 29.2 m0 -116.86 176.26 5.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.9 m -143.78 144.72 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.613 HD11 ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -119.92 159.93 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 156.55 55.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.97 84.63 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER 166.66 43.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.5 t -77.19 -45.98 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.18 -49.3 76.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.47 94.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.44 ' HE2' ' CZ ' ' A' ' 87' ' ' PHE . 19.8 ttp -62.23 -45.25 94.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.4 m-85 -88.56 20.94 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.0 -59.34 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.36 -51.94 8.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.68 4.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.7 p -151.78 -45.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.12 101.66 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 95' ' ' ARG . 0.5 OUTLIER -82.19 47.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.454 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -166.22 -67.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.95 -50.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.95 116.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' CZ ' " H3'" ' B' ' 255' ' ' ' DA' . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.444 " H1'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.469 2.066 3 O4'-C4'-C3' 95.759 -9.841 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.444 " C5'" " H1'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.31 -12.322 3 C1'-O4'-C4' 119.289 6.85 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.553 9.713 3 C5'-C4'-O4' 129.169 12.356 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.465 1.725 4 C5'-C4'-O4' 131.028 13.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.527 7.358 4 C5'-C4'-O4' 149.375 24.984 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.516 " C1'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.078 -33.44 3 C5'-C4'-O4' 126.933 10.958 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.344 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.665 19.909 3 C5'-C4'-O4' 146.233 23.021 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.472 ' OP2' ' NH1' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.521 6.794 4 C5'-C4'-O4' 146.226 23.016 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.574 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.568 11.086 3 C5'-C4'-O4' 146.578 23.236 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.819 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.514 6.192 4 C5'-C4'-O4' 147.588 23.867 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.557 " H4'" ' OP1' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.099 -31.515 3 C5'-C4'-O4' 128.673 12.046 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 0.557 ' OP1' " H4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.543 8.821 3 C5'-C4'-O4' 156.339 29.337 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.507 5.59 4 C5'-C4'-O4' 149.207 24.88 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 139.892 19.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 0.639 " H4'" ' OP1' ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.082 -33.108 3 C5'-C4'-O4' 136.72 17.075 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.639 ' OP1' " H4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.076 -33.636 3 C5'-C4'-O4' 137.097 17.311 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . 0.504 " O5'" " C2'" ' B' ' 264' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.409 3 C5'-C4'-O4' 150.133 25.458 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 4 O4'-C4'-C3' 97.869 -7.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.403 " O5'" " H2'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.581 12.276 3 O4'-C4'-C3' 93.758 -11.842 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.389 -5.14 4 C5'-C4'-O4' 131.957 14.098 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.436 ' OP1' ' HA2' ' A' ' 72' ' ' GLY . . . . . . . . 1 O4'--C4' 1.519 6.642 3 C5'-C4'-O4' 133.193 14.871 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.436 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.58 12.221 3 C5'-C4'-O4' 154.595 28.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.57 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.592 13.253 3 O4'-C4'-C3' 94.901 -10.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.502 5.095 4 C5'-C4'-O4' 142.013 20.383 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.345 -9.157 4 C5'-C4'-O4' 146.783 23.364 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.819 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.246 -18.178 2 C5'-C4'-O4' 94.856 -9.09 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.495 " H2'" ' C7 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.139 -27.895 3 C5'-C4'-O4' 91.982 -10.887 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.719 " H4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.167 -25.384 3 C5'-C4'-O4' 141.637 20.148 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.719 ' OP1' " H4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.069 -34.25 3 C5'-C4'-O4' 87.466 -13.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . 0.423 " O5'" " C1'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.325 -11.021 4 C5'-C4'-O4' 149.278 24.924 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.34 -9.676 4 C5'-C4'-O4' 134.592 15.745 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.59 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.394 -4.768 3 C1'-O4'-C4' 116.375 4.768 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.364 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.641 17.767 3 O4'-C4'-C3' 92.636 -12.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.223 -20.26 3 C5'-C4'-O4' 96.18 -8.262 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 3' ' ' LYS . 19.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER 172.37 148.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.7 3.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.92 -57.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 5' ' ' PRO . 1.3 m-85 -141.7 172.36 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.428 ' OG ' ' OP2' ' B' ' 256' ' ' ' DA' . 99.6 p -69.04 -175.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 84.9 m-85 -82.82 -27.18 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 94' ' ' ARG . 1.2 pp -46.38 -43.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.26 86.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 9.8 mt -61.61 -23.95 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm -78.6 -57.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 22.2 p -46.69 -34.59 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -83.08 -38.51 22.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.34 -38.52 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 79' ' ' LEU . 39.6 mm -81.6 -52.3 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -50.78 -44.89 58.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.33 -27.87 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 76.0 p -115.34 86.18 14.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -89.38 16.59 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 34.66 68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -178.96 112.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -157.07 174.25 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.552 ' CG2' ' OD1' ' A' ' 75' ' ' ASN . 54.5 m -120.36 128.09 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.584 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -51.19 -44.42 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -57.99 -56.23 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.52 -26.22 56.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.2 mp -72.12 -49.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -55.43 -36.21 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.73 -36.77 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -67.25 -31.47 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' CE2' ' A' ' 32' ' ' PHE . 6.4 mt -74.22 -58.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -54.29 -27.58 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.43 -52.27 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 4.0 mmm180 -65.67 -57.5 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.607 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 16.5 m-85 -91.4 116.63 66.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.68 -42.36 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 15.6 m-85 -65.8 -33.02 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -71.5 -42.66 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -11.8 59.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 10.1 mttp -142.5 72.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -112.86 76.09 2.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -75.02 41.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 63.18 59.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CD1' ' CD1' ' A' ' 44' ' ' PHE . 36.2 p-90 -82.09 6.13 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.468 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.77 -45.18 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.545 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 89.9 m-20 -64.53 -37.77 88.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.585 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.3 m -66.55 -59.9 3.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.593 HG23 ' CE3' ' A' ' 47' ' ' TRP . 2.1 tp -51.61 -60.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' NH2' ' HB3' ' A' ' 56' ' ' SER . 0.0 OUTLIER -51.65 -46.82 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.543 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 5.7 t60 -54.8 -58.1 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' CG ' HG21 ' A' ' 9' ' ' ILE . 8.2 m-20 -66.87 -8.94 32.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -79.46 -52.25 8.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.667 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.6 -48.06 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.56 76.3 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.23 -59.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 10.6 m-20 -80.84 -58.16 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.91 76.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.667 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -131.61 -163.86 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -117.53 145.46 23.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.79 176.61 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 7.5 mm -118.2 105.03 47.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.97 158.94 42.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.546 ' CZ ' " H5'" ' B' ' 264' ' ' ' DA' . 0.0 OUTLIER -24.64 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.6 mt-10 -120.11 170.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' OD1' ' A' ' 70' ' ' ASN . . . 158.9 40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 69' ' ' GLY . 3.0 m-20 -135.71 76.98 52.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.4 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 95.5 -73.63 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.0 OUTLIER -143.88 61.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.81 76.21 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.552 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 11.9 p-10 -109.91 -169.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 56.7 m-85 -148.57 142.18 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.6 m95 -134.8 135.21 41.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.5 m -127.74 136.06 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.61 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 8.6 tt -118.24 167.93 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.61 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -78.53 143.56 63.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.31 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 168.78 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.418 ' HB2' HD23 ' A' ' 79' ' ' LEU . 43.1 t -80.22 -48.09 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -32.1 69.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.89 -43.02 99.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -51.29 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -65.93 -51.28 59.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -49.4 70.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -59.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.9 -167.74 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.4 t -136.06 47.39 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 68.59 36.07 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.86 168.84 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.475 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 16.2 ttp85 176.03 78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.552 ' CZ ' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 168.7 -57.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 73.73 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.01 134.05 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' NH1' ' CZ ' ' A' ' 95' ' ' ARG . 9.8 ptm180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.448 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.531 7.719 3 C5'-C4'-O4' 99.436 -6.227 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.448 " C5'" " H4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.193 -22.985 3 C5'-C4'-O4' 97.101 -7.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.516 6.34 4 O4'-C4'-C3' 95.274 -10.326 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -1.552 4 C5'-C4'-O4' 135.416 16.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.477 2.81 4 C5'-C4'-O4' 145.374 22.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.487 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.076 -33.659 3 C5'-C4'-O4' 137.516 17.572 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.666 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.889 3 C5'-C4'-O4' 141.436 20.022 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.28 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.704 23.418 3 C5'-C4'-O4' 158.357 30.598 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.543 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.535 8.098 3 C5'-C4'-O4' 155.34 28.712 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.524 4 C5'-C4'-O4' 148.28 24.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 1.348 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.653 18.842 3 C5'-C4'-O4' 136.982 17.239 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.163 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.733 26.08 3 C5'-C4'-O4' 158.983 30.99 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.259 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.636 17.308 3 C5'-C4'-O4' 150.955 25.972 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . 1.329 " O4'" " C4'" ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.633 16.989 3 C5'-C4'-O4' 156.761 29.601 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.602 14.159 3 C5'-C4'-O4' 148.954 24.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.546 " H5'" ' CZ ' ' A' ' 66' ' ' ARG . . . . . . . . 0 O4'--C4' 1.477 2.84 4 C5'-C4'-O4' 133.604 15.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.567 11.008 3 C5'-C4'-O4' 139.358 18.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.041 4 O4'-C4'-C3' 95.648 -9.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.403 " O5'" " H2'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.594 13.448 3 O4'-C4'-C3' 93.922 -11.678 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.957 4 C5'-C4'-O4' 130.424 13.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.446 ' OP1' ' HA2' ' A' ' 72' ' ' GLY . . . . . . . . 0 O4'--C4' 1.488 3.826 3 C5'-C4'-O4' 129.475 12.547 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.427 ' OP1' ' HA ' ' A' ' 73' ' ' LYS . . . . . . . . 1 O4'--C4' 1.546 9.07 3 C5'-C4'-O4' 154.564 28.227 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.526 " C5'" ' HB3' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.572 11.46 3 O4'-C4'-C3' 93.986 -11.614 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.497 ' O4 ' ' N6 ' ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.508 5.657 3 C5'-C4'-O4' 128.473 11.92 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.491 4.073 3 C5'-C4'-O4' 130.365 13.103 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.57 11.234 3 C5'-C4'-O4' 136.767 17.105 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.541 8.606 4 C5'-C4'-O4' 150.039 25.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.174 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.825 34.443 3 O4'-C4'-C3' 79.505 -26.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.467 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.789 4 C5'-C4'-O4' 90.933 -11.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.55 9.428 4 C5'-C4'-O4' 148.31 24.319 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . 0.424 " H4'" ' NH2' ' A' ' 95' ' ' ARG . . . . . . . . 1 O4'--C4' 1.322 -11.284 3 C5'-C4'-O4' 140.253 19.283 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.577 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.411 -3.149 3 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.577 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.621 15.895 3 O4'-C4'-C3' 92.993 -12.607 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.265 -16.418 3 C5'-C4'-O4' 94.229 -9.482 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 39' ' ' TYR . 73.7 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.68 67.9 3.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.19 41.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -68.69 145.78 53.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.495 ' CB ' " H3'" ' B' ' 256' ' ' ' DA' . 51.2 p -76.43 -168.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.51 ' CD1' HG21 ' A' ' 51' ' ' ILE . 40.7 m-85 -82.31 -22.15 35.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' CD1' ' OD1' ' A' ' 58' ' ' ASN . 3.7 tp -42.72 -38.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -67.44 -55.59 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.582 HD23 ' CZ ' ' A' ' 37' ' ' PHE . 41.9 mt -54.44 -35.89 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' CG1' HD11 ' A' ' 55' ' ' LEU . 1.6 mp -72.76 -39.41 59.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 23.8 m -52.76 -50.57 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 ptm -76.68 -23.92 53.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 11' ' ' LEU . . . -63.17 -39.44 94.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.492 HG12 ' CD1' ' A' ' 79' ' ' LEU . 1.7 mp -83.31 -38.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 1.5 mp -66.35 -50.0 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.6 pp0? -48.87 -27.81 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -117.37 73.14 7.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 -0.02 9.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 2.3 tt0 -69.6 -17.73 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 13.3 tttm 85.52 69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 2.8 mttt 179.28 128.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.3 mm? -127.54 170.37 12.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 53.2 p -155.81 99.71 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -40.04 -40.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -66.3 -52.11 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.08 76.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' THR . 1.3 mp -70.87 -52.94 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -55.83 -36.82 67.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -42.48 65.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.62 -28.86 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 22.1 mm -80.74 -42.11 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -58.53 -49.93 75.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -39.42 78.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -72.13 -52.11 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.582 ' CZ ' HD23 ' A' ' 11' ' ' LEU . 54.6 m-85 -119.25 106.66 42.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' GLU . 18.2 Cg_endo -75.02 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD1' HG22 ' A' ' 2' ' ' VAL . 3.6 m-85 -50.4 -40.86 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -66.83 -43.41 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -15.71 55.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -76.23 -47.9 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.664 ' O ' ' N ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -112.53 31.15 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.4 t80 -20.48 82.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.98 39.91 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 58.6 59.45 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CZ3' HG23 ' A' ' 33' ' ' ILE . 5.4 p-90 -95.83 31.38 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 8.7 tt0 -74.58 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.471 ' CG ' ' H62' ' B' ' 259' ' ' ' DA' . 0.9 OUTLIER -71.18 -22.24 62.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.511 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -58.68 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.51 HG21 ' CD1' ' A' ' 8' ' ' TYR . 38.9 pt -68.15 -47.01 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.583 ' NH2' ' C7 ' ' C' ' 356' ' ' ' DT' . 0.0 OUTLIER -55.05 -33.43 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.603 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 11.4 t-80 -68.93 -53.96 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -68.48 -12.12 60.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 8.9 tp -83.47 -56.84 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -82.02 -50.25 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -73.69 75.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 158.64 -47.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -80.74 -44.67 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.9 m 66.21 61.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -118.53 -159.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 78' ' ' THR . 7.4 t -120.04 149.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -137.0 169.7 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 4.6 tt -118.15 129.77 25.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.96 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -45.28 115.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 140.64 27.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.75 18.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 -58.19 14.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.11 114.8 7.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.4 Cg_endo -75.01 -92.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 17.16 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 71' ' ' PRO . 2.6 mtmp? -140.12 37.73 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.3 105.26 3.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.542 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.3 p-10 -157.6 163.06 38.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -151.79 148.35 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.58 ' CZ2' ' OP2' ' C' ' 354' ' ' ' DG' . 19.3 m0 -118.1 150.3 39.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.054 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.545 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m -121.11 138.6 54.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.492 ' CD1' HG12 ' A' ' 16' ' ' ILE . 3.1 tt -117.13 148.0 41.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -91.03 167.91 14.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.07 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 164.88 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -56.11 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -49.13 76.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.26 -40.07 84.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.9 -51.06 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 9.8 m-85 -68.35 -33.37 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.7 32.16 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.95 -56.02 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.84 -122.13 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.42 56.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -175.54 64.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.3 -83.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -177.62 47.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.7 mmt-85 -130.28 -63.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER 51.12 84.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 35.95 63.29 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.62 ' CZ ' " H5'" ' B' ' 255' ' ' ' DA' . 17.2 ttt180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 1.345 " O4'" " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.637 17.402 3 C5'-C4'-O4' 90.577 -11.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.577 " H4'" ' OP1' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.074 -33.841 3 C1'-O4'-C4' 123.316 9.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 0.577 ' OP1' " H4'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.35 3 C5'-C4'-O4' 152.267 26.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.462 4 C5'-C4'-O4' 121.756 7.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . 0.406 " H4'" ' O ' ' A' ' 98' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.512 4 C5'-C4'-O4' 143.63 21.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 1.27 " O4'" " C4'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.684 21.602 3 C5'-C4'-O4' 147.739 23.962 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.62 " H5'" ' CZ ' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.104 -31.066 3 C5'-C4'-O4' 139.236 18.648 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.173 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.696 22.767 3 C5'-C4'-O4' 160.065 31.666 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.603 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.491 4.081 4 C5'-C4'-O4' 151.209 26.131 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.678 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.458 4 C5'-C4'-O4' 143.931 21.582 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 1.291 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.638 17.471 3 C5'-C4'-O4' 136.683 17.052 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.247 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.736 26.322 3 C5'-C4'-O4' 160.15 31.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.27 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.641 17.695 3 C5'-C4'-O4' 143.921 21.575 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.493 4.262 3 C5'-C4'-O4' 131.123 13.577 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.209 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.698 22.943 3 C5'-C4'-O4' 156.316 29.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . 0.546 " H4'" ' OP1' ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.081 -33.185 3 C5'-C4'-O4' 132.905 14.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . 0.546 ' OP1' " H4'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.199 -22.453 4 C5'-C4'-O4' 144.111 21.694 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.443 4 C5'-C4'-O4' 133.303 14.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.552 9.665 3 O4'-C4'-C3' 95.209 -10.391 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 137.213 17.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.375 -6.486 2 C1'-O4'-C4' 116.019 4.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.457 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.577 11.931 3 C5'-C4'-O4' 155.947 29.092 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.58 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.607 14.602 3 O4'-C4'-C3' 92.01 -13.59 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.501 ' C5 ' ' C4 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.478 2.915 3 C5'-C4'-O4' 134.763 15.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.583 ' C7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.462 4 C5'-C4'-O4' 147.143 23.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.678 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.359 -7.908 4 C5'-C4'-O4' 146.114 22.946 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.479 " H2'" ' C7 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.152 -26.737 3 C5'-C4'-O4' 88.95 -12.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.766 " H4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.139 -27.946 3 C5'-C4'-O4' 141.336 19.96 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.766 ' OP1' " H4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.527 7.377 3 O4'-C4'-C3' 89.955 -15.645 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.486 3.658 4 C5'-C4'-O4' 143.307 21.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.291 -14.1 3 C5'-C4'-O4' 139.294 18.684 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.428 -1.672 3 O4'-C4'-C3' 101.12 -4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.255 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.648 18.341 3 O4'-C4'-C3' 92.676 -12.924 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.245 -18.271 3 C5'-C4'-O4' 95.377 -8.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.586 HG12 ' CE1' ' A' ' 40' ' ' TYR . 31.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.667 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 11.7 tptp -94.45 -51.3 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.02 169.98 21.42 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 33.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.674 ' CD2' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -124.5 94.05 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 m -81.67 -149.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 50' ' ' SER . 99.1 m-85 -63.52 -45.98 88.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 HG23 ' NH2' ' A' ' 98' ' ' ARG . 0.9 OUTLIER -38.81 -47.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' CB ' ' CD2' ' A' ' 6' ' ' TYR . . . -57.63 -49.79 75.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 37' ' ' PHE . 3.5 mm? -59.24 -34.05 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.521 ' CD1' HG21 ' A' ' 51' ' ' ILE . 33.5 mm -69.24 -60.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 10' ' ' ALA . 68.7 p -41.49 -38.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mmm -77.16 -37.03 54.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -64.91 -30.92 71.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 33.0 mm -86.06 -51.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 3.2 mp -55.6 -48.45 74.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.5 pp0? -48.97 -24.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 p -120.31 72.88 20.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.483 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -74.99 -5.36 16.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.4 tt0 -69.29 -94.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 174.72 69.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -178.79 127.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mm? -124.48 160.63 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.474 HG21 ' O ' ' A' ' 75' ' ' ASN . 15.3 m -154.13 113.02 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.0 tm? -55.3 -56.81 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -49.8 -52.13 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.953 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 -37.13 92.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 1.3 mp -63.74 -59.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.4 t -45.0 -41.0 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 108.258 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -44.37 86.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.11 -18.66 64.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 ' CE3' ' A' ' 47' ' ' TRP . 39.3 mm -79.97 -51.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.5 p -60.4 -50.58 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -45.16 81.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 7.4 mmm180 -66.73 -49.72 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE1' HD13 ' A' ' 11' ' ' LEU . 15.6 m-85 -127.33 118.72 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -51.21 -38.34 51.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.645 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 11.9 m-30 -62.35 -40.69 97.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -9.4 59.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -52.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 44' ' ' PHE . 1.3 ttmp? -78.44 -54.34 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 2.0 t80 26.38 62.94 0.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -75.0 -10.83 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' PRO . . . 163.47 55.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.7 m95 -76.51 -2.11 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.49 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.2 tm0? -79.0 -54.95 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 0.4 OUTLIER -74.32 -38.64 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 8' ' ' TYR . 50.9 m -60.2 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 14.8 mm -53.72 -61.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 12.8 mtm-85 -48.86 -36.11 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.643 ' CE1' ' N7 ' ' B' ' 256' ' ' ' DA' . 1.6 t-80 -65.04 -60.59 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.46 ' CB ' HG13 ' A' ' 12' ' ' ILE . 28.5 m-80 -67.16 -10.06 46.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.618 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.8 OUTLIER -82.95 -57.17 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.455 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.78 -49.77 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 HD21 ' NE2' ' A' ' 53' ' ' HIS . 1.9 tt -73.95 76.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER 162.41 -62.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 27.2 m-20 -66.84 -60.8 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 87.12 55.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -118.11 -163.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m -116.78 151.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 3.7 mtmm -132.85 167.29 20.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.544 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 7.1 tt -114.68 121.03 36.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 116.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.33 163.88 16.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.25 3.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.95 46.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 1.4 m-20 -119.6 93.86 47.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.427 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.4 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.426 ' HA2' ' P ' ' C' ' 352' ' ' ' DT' . . . 92.65 -41.19 2.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 13.6 mttt -144.14 65.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -133.81 74.99 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.648 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 33.7 p-10 -137.96 -173.35 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.648 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -161.91 151.98 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 21.3 m0 -119.95 175.81 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.994 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 39.1 m -145.58 124.03 12.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 80' ' ' ASP . 4.5 tt -114.93 153.43 30.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.98 146.54 55.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HG3' ' CE ' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 78.37 2.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 179.31 40.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -80.26 -39.1 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.52 -45.09 81.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -42.4 92.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.19 -36.44 75.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 13' ' ' THR . 3.8 m-85 -69.55 -55.3 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.8 -50.81 60.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -81.43 78.4 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.73 113.05 3.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.9 p -95.91 27.03 3.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 91' ' ' SER . 62.8 m-85 -157.99 -60.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER 37.11 86.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 5.6 ttp180 -106.89 40.99 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -144.09 -66.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -179.15 -44.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ARG . 5.6 mtpt -130.91 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.493 ' NH2' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.237 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.436 " H1'" ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.75 3 C5'-C4'-O4' 86.532 -14.293 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.436 ' C6 ' " H1'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.41 4 C5'-C4'-O4' 97.51 -7.431 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.611 14.958 3 C5'-C4'-O4' 152.789 27.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.476 4 C5'-C4'-O4' 148.339 24.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.511 4 C5'-C4'-O4' 148.911 24.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.515 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.106 -30.865 2 C1'-O4'-C4' 120.995 8.068 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.236 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.741 26.831 3 O4'-C4'-C3' 80.418 -25.182 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 1.324 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.651 18.677 3 C5'-C4'-O4' 152.695 27.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.642 ' O4 ' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.329 -10.679 4 C5'-C4'-O4' 148.176 24.235 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.505 " C2'" " O5'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.91 3 C5'-C4'-O4' 96.386 -8.134 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.533 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.082 -33.05 3 C5'-C4'-O4' 134.87 15.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 0.516 ' OP1' " H4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.504 5.255 3 C5'-C4'-O4' 152.782 27.114 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.492 4.187 3 O4'-C4'-C3' 99.123 -6.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.524 7.079 3 C5'-C4'-O4' 135.937 16.585 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.248 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.642 17.773 3 C5'-C4'-O4' 154.19 27.994 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.61 4 C5'-C4'-O4' 150.019 25.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.541 8.643 4 C5'-C4'-O4' 138.525 18.203 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.875 4 O4'-C4'-C3' 96.028 -9.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.562 10.577 3 O4'-C4'-C3' 95.128 -10.472 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.468 2.02 4 C5'-C4'-O4' 139.085 18.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . 0.426 ' P ' ' HA2' ' A' ' 72' ' ' GLY . . . . . . . . 0 C3'--C2' 1.504 -1.447 3 C5'-C4'-O4' 119.1 6.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.424 ' OP1' ' HA ' ' A' ' 73' ' ' LYS . . . . . . . . 1 O4'--C4' 1.5 4.868 4 C5'-C4'-O4' 150.982 25.989 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 1.3 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.641 17.75 3 O4'-C4'-C3' 93.011 -12.589 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.473 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.589 13.023 3 C5'-C4'-O4' 143.088 21.055 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.473 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.532 7.782 4 C5'-C4'-O4' 148.185 24.24 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.492 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.523 7.025 3 C5'-C4'-O4' 138.507 18.192 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . 0.559 " H4'" ' OP1' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.126 -29.096 3 C5'-C4'-O4' 130.58 13.237 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 0.959 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 2.054 55.245 3 O4'-C4'-C3' 72.037 -33.563 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.472 ' C7 ' " C2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.48 3.129 4 O4'-C4'-C3' 95.825 -9.775 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.531 7.71 3 C5'-C4'-O4' 137.845 17.778 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.413 4 C5'-C4'-O4' 147.493 23.808 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.562 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.386 -5.427 2 C1'-O4'-C4' 116.108 4.577 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 1.331 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.631 16.808 2 O4'-C4'-C3' 92.6 -13.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.279 -15.146 3 C5'-C4'-O4' 94.152 -9.53 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' HA ' ' HB3' ' A' ' 39' ' ' TYR . 58.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -36.78 137.07 0.57 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HG2' ' CZ ' ' A' ' 6' ' ' TYR . 18.1 Cg_endo -75.04 178.87 6.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.0 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CZ ' ' HG2' ' A' ' 4' ' ' PRO . 5.8 m-30 -112.61 167.02 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.683 ' HA ' ' OP1' ' B' ' 256' ' ' ' DA' . 1.9 p -68.86 97.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CZ ' ' CZ2' ' A' ' 47' ' ' TRP . 4.9 m-30 -45.51 -44.0 12.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.8 pt -45.72 -41.8 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.01 -56.34 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 14' ' ' MET . 51.8 mt -55.96 -25.94 45.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -74.43 -51.38 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.551 HG23 ' CE1' ' A' ' 87' ' ' PHE . 45.7 p -48.93 -39.5 26.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 8.9 ptm -78.11 -28.76 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . . . -74.2 -29.33 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.521 HG21 ' N ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -82.55 -33.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.521 ' N ' HG21 ' A' ' 16' ' ' ILE . 2.2 mp -68.35 -24.07 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -67.07 -23.45 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -118.7 73.07 11.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 -3.92 14.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.42 -0.96 24.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 79' ' ' LEU . 1.2 ttpp 71.48 65.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.4 pttt -172.36 127.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 4.0 mm? -133.81 173.17 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 m -156.85 107.09 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD22 ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -42.66 -46.49 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 34.0 t -57.67 -52.6 64.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' PHE . . . -64.91 -22.7 68.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.18 -45.84 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -60.96 -33.64 73.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -41.1 27.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.647 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -63.6 -34.54 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 32' ' ' PHE . 2.1 mt -83.91 -47.7 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 m -53.33 -44.71 68.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.62 -43.45 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -68.53 -38.32 80.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CB ' ' HB2' ' A' ' 40' ' ' TYR . 3.2 m-85 -118.48 104.04 48.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.05 -36.91 2.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . 4.0 t80 -67.07 -40.0 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -65.05 -52.65 54.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.636 ' HA ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.95 -15.32 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -77.01 -49.7 14.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -78.63 -48.72 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.686 ' CE1' ' CB ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 24.28 64.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -12.91 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' ' OP2' ' B' ' 258' ' ' ' DA' . . . 173.15 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.686 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 2.1 m95 -70.12 -6.49 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 6.6 tt0 -70.34 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.528 ' HA ' ' CD ' ' A' ' 52' ' ' ARG . 80.2 m-20 -76.69 -25.29 53.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.546 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 2.4 m -63.78 -59.44 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.585 HD11 ' CZ3' ' A' ' 47' ' ' TRP . 6.6 tp -63.25 -56.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NH1' ' C8 ' ' C' ' 354' ' ' ' DG' . 0.2 OUTLIER -48.5 -37.28 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.631 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 31.9 t60 -64.38 -56.61 13.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 8' ' ' TYR . 8.4 m120 -68.76 -10.01 54.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -84.14 -55.48 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.526 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 p -77.49 -51.23 11.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD21 ' CE1' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -70.95 75.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.473 ' ND2' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER 168.56 -71.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.633 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 5.7 m-20 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.91 56.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.329 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -115.14 -161.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.52 159.27 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.598 ' HE3' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 ptmt -141.8 166.62 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 76' ' ' TYR . 1.1 pp -117.22 122.51 31.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.04 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.57 104.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -95.0 165.27 17.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' CD ' ' HG2' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 56.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 165.74 47.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.496 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 84.6 m-20 -136.04 59.94 31.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.98 100.94 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.95 -97.26 0.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.1 OUTLIER -140.59 54.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.47 147.3 16.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.649 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 14.1 p-10 179.62 -176.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.724 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.4 m-85 -159.49 141.28 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.598 ' CZ3' ' HE3' ' A' ' 63' ' ' LYS . 18.9 m0 -118.06 164.7 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 3.8 m -135.81 120.26 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 61' ' ' PHE . 1.4 tm? -121.58 140.63 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 3.0 t70 -66.34 147.58 98.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.03 86.39 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 164.92 40.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t -80.63 -25.44 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.76 -39.81 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.6 -45.84 92.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -11.84 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.551 ' CE1' HG23 ' A' ' 13' ' ' THR . 3.3 t80 -82.37 -57.86 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -53.44 -48.82 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -42.44 -54.38 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.44 -53.24 10.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.94 57.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -61.67 -45.92 91.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 66.59 172.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 6' ' ' TYR . 20.9 tpt180 -104.03 97.3 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.9 66.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -155.97 42.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.6 tptt 179.88 120.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.504 " H4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.233 -19.367 2 C5'-C4'-O4' 87.139 -13.913 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.504 ' OP1' " H4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.503 -1.492 4 O4'-C4'-C3' 94.505 -11.095 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . 0.426 ' C7 ' " C2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.59 13.055 3 C5'-C4'-O4' 155.92 29.075 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.334 -10.175 4 C5'-C4'-O4' 146.688 23.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . 0.459 " C2'" " O5'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.124 -29.239 3 C5'-C4'-O4' 91.099 -11.438 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.766 " H4'" ' OP1' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.368 3 C5'-C4'-O4' 139.82 19.013 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 1.28 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.643 17.91 3 C5'-C4'-O4' 159.674 31.421 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.683 ' OP1' ' HA ' ' A' ' 7' ' ' SER . . . . . . . . 1 O4'--C4' 1.553 9.723 3 C5'-C4'-O4' 154.894 28.434 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 1.23 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.729 25.721 3 C5'-C4'-O4' 152.398 26.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.565 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.539 8.443 3 C5'-C4'-O4' 144.703 22.064 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.473 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.581 12.241 3 C5'-C4'-O4' 145.714 22.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.224 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.722 25.07 3 C5'-C4'-O4' 160.185 31.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . 1.252 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.661 19.588 3 C5'-C4'-O4' 142.506 20.691 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.573 11.51 3 C5'-C4'-O4' 140.348 19.343 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . 1.193 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.765 28.975 3 C5'-C4'-O4' 161.492 32.558 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.327 4 C5'-C4'-O4' 150.796 25.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . 0.424 ' OP1' ' HD3' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.544 8.885 4 C5'-C4'-O4' 138.858 18.412 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.973 4 O4'-C4'-C3' 95.335 -10.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . 0.415 " O5'" " H2'" ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.561 10.484 3 O4'-C4'-C3' 95.07 -10.53 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.508 4 C5'-C4'-O4' 138.522 18.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.465 1.72 4 C5'-C4'-O4' 129.05 12.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.422 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.603 14.318 3 C5'-C4'-O4' 151.708 26.442 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 0.669 ' C8 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.613 15.157 3 C5'-C4'-O4' 136.727 17.079 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.544 ' C7 ' ' HD3' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.509 5.769 3 C5'-C4'-O4' 129.431 12.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 4 C5'-C4'-O4' 140.262 19.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.565 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.562 10.557 3 C5'-C4'-O4' 146.781 23.363 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.61 14.952 3 C5'-C4'-O4' 153.403 27.502 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.156 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.807 32.786 3 C5'-C4'-O4' 158.833 30.896 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.519 6.609 3 O4'-C4'-C3' 93.829 -11.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.482 3.298 4 C5'-C4'-O4' 140.804 19.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.313 4 C5'-C4'-O4' 146.956 23.472 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.615 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.407 -3.558 3 O4'-C4'-C3' 101.032 -4.568 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.615 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.615 15.327 2 O4'-C4'-C3' 92.494 -13.106 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.265 -16.491 3 C5'-C4'-O4' 94.542 -9.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 39' ' ' TYR . 17.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -110.96 -66.17 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.07 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.02 157.01 42.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.76 146.18 34.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.451 ' HB3' ' OP2' ' B' ' 256' ' ' ' DA' . 19.3 p -68.77 159.19 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.47 ' CG ' HD13 ' A' ' 51' ' ' ILE . 14.5 m-85 -81.28 -28.07 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -45.09 -40.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.04 -52.58 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 37' ' ' PHE . 1.4 mm? -61.22 -29.82 70.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 12' ' ' ILE . 1.7 mp -68.66 -55.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.584 ' HB ' ' CE1' ' A' ' 87' ' ' PHE . 69.2 p -47.78 -40.88 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttp -74.3 -30.2 61.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -68.16 -42.22 80.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 12' ' ' ILE . 1.7 mp -74.39 -33.62 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -34.51 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -68.87 -19.56 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 21' ' ' GLN . 5.9 p -125.76 67.09 58.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.96 40.59 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 19' ' ' SER . 16.2 tt0 -122.65 -5.82 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.59 59.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttm 179.92 106.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -145.37 152.96 40.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 24.5 m -108.09 114.85 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -43.39 -49.7 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 35.8 t -51.47 -52.76 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.97 -28.74 72.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.4 mp -67.94 -56.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.8 t -50.52 -40.92 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.74 -36.85 83.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CE2' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -72.74 -20.03 61.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.636 ' CD1' ' CE2' ' A' ' 32' ' ' PHE . 19.1 mm -80.76 -40.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -61.42 -54.96 36.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.92 -40.46 57.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.76 -51.13 17.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CE1' HD13 ' A' ' 11' ' ' LEU . 41.6 m-85 -122.72 112.45 30.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CG ' HG23 ' A' ' 2' ' ' VAL . 9.2 m-85 -53.3 -40.73 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.4 m-30 -63.45 -40.49 97.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -16.13 56.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.11 -50.77 18.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 44' ' ' PHE . 6.8 tttp -80.11 -50.68 9.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER 25.2 66.24 0.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -12.54 21.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.553 1.817 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 45' ' ' PRO . . . 159.47 62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.5 m95 -83.05 14.8 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 52' ' ' ARG . 4.4 tm0? -80.65 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 50' ' ' SER . 16.5 p30 -77.93 -28.08 49.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 46' ' ' ALA . 70.3 m -57.88 -57.99 10.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 51' ' ' ILE . 1.7 mp -68.75 -45.57 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 4.8 mtt180 -53.14 -38.91 63.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.642 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 0.4 OUTLIER -67.99 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.567 ' N ' ' HD1' ' A' ' 53' ' ' HIS . 1.2 m-20 -57.7 -14.29 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.567 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -79.98 -51.31 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 9.0 t -80.06 -51.65 8.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 3.9 mm? -72.44 76.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 2.4 m120 170.73 -59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 62.0 m-20 -76.05 -48.77 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.35 67.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -129.75 -166.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 78' ' ' THR . 34.6 m -118.62 153.39 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HD3' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -135.0 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 76' ' ' TYR . 7.2 tt -121.41 128.6 25.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB2' ' NH1' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -38.13 111.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.54 137.89 30.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 81.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.44 -61.52 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 13.9 p-10 -117.06 97.34 50.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.1 Cg_endo -75.07 -93.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 15.04 -90.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' PRO . 6.9 mtmt -139.92 34.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.47 122.51 6.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.162 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.658 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 15.5 p-10 -163.02 179.01 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -154.86 140.6 18.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.591 ' CZ3' ' HD3' ' A' ' 63' ' ' LYS . 14.2 m0 -118.69 139.91 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 89.0 m -117.37 135.76 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 tt -116.29 160.57 20.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.97 151.5 97.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.96 78.74 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.8 mt-30 167.44 46.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 86' ' ' MET . 3.9 t -77.49 -47.19 20.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.58 -32.26 72.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.32 -55.37 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 83' ' ' SER . 12.7 ptm -63.03 -12.9 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 13' ' ' THR . 2.5 m-85 -114.96 19.93 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.3 -62.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -68.28 124.05 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.31 -129.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.9 m 65.35 8.04 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -152.43 30.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 96' ' ' ARG . 0.8 OUTLIER -86.83 59.39 5.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HB2' ' CB ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER 58.64 153.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.589 ' HD3' " H4'" ' C' ' 363' ' ' ' DA' . 66.3 mtt85 -38.37 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -137.56 -53.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.517 ' C ' ' HD2' ' A' ' 94' ' ' ARG . 4.9 ttpt -177.55 108.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 249' ' ' ' DG' . . . . . 0.649 " O4'" ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 4.222 252.356 4 O4'-C4'-C3' 33.246 -72.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 250' ' ' ' DC' . . . . . 0.649 ' C6 ' " O4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.571 11.328 2 O4'-C4'-C3' 95.823 -9.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 251' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.614 15.267 3 C5'-C4'-O4' 135.785 16.491 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.546 9.088 3 C5'-C4'-O4' 140.783 19.614 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.459 4 C5'-C4'-O4' 136.694 17.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 254' ' ' ' DA' . . . . . 0.549 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.079 -33.402 3 C5'-C4'-O4' 129.58 12.613 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 255' ' ' ' DA' . . . . . 0.724 " H4'" ' OP1' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.183 -23.951 3 C5'-C4'-O4' 141.388 19.992 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 256' ' ' ' DA' . . . . . 0.724 ' OP1' " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.103 -31.146 3 C5'-C4'-O4' 139.399 18.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 257' ' ' ' DT' . . . . . 0.657 ' OP1' " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.527 7.402 3 C5'-C4'-O4' 147.972 24.108 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 258' ' ' ' DA' . . . . . 0.784 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.47 2.207 4 C5'-C4'-O4' 130.77 13.356 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 259' ' ' ' DA' . . . . . 0.405 ' C5 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.582 12.377 3 C5'-C4'-O4' 151.528 26.33 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 260' ' ' ' DC' . . . . . 1.182 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.787 30.978 3 C5'-C4'-O4' 155.398 28.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.62 15.848 3 C5'-C4'-O4' 146.99 23.494 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 262' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.613 15.15 3 C5'-C4'-O4' 154.904 28.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 263' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.603 14.258 3 C5'-C4'-O4' 149.152 24.845 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.319 4 C5'-C4'-O4' 127.953 11.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 11.999 3 C5'-C4'-O4' 142.783 20.864 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 349' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.374 -6.563 4 O4'-C4'-C3' 99.372 -6.228 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 350' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 12.017 3 O4'-C4'-C3' 94.47 -11.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 351' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.448 4 C5'-C4'-O4' 142.695 20.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 352' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.285 4 C1'-O4'-C4' 116.159 4.613 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 353' ' ' ' DT' . . . . . 0.427 " H2'" ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.539 8.416 4 C5'-C4'-O4' 154.019 27.887 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 354' ' ' ' DG' . . . . . 1.22 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.655 19.02 3 C5'-C4'-O4' 149.118 24.824 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 355' ' ' ' DT' . . . . . 0.762 " H4'" ' OP1' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.303 3 C5'-C4'-O4' 130.585 13.241 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 356' ' ' ' DT' . . . . . 0.762 ' OP1' " H4'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.368 -7.046 4 C5'-C4'-O4' 149.966 25.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 357' ' ' ' DA' . . . . . 0.784 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.529 7.512 3 C5'-C4'-O4' 147.52 23.825 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 358' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.513 6.096 4 C5'-C4'-O4' 144.577 21.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 359' ' ' ' DT' . . . . . 1.208 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.797 31.949 3 C5'-C4'-O4' 150.575 25.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 360' ' ' ' DT' . . . . . 0.451 " C5'" " H1'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.014 4 C5'-C4'-O4' 89.213 -12.617 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.576 11.816 3 C5'-C4'-O4' 148.732 24.582 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.281 -15.002 3 C5'-C4'-O4' 130.965 13.478 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 363' ' ' ' DA' . . . . . 0.591 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.468 2.015 3 O4'-C4'-C3' 100.189 -5.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 364' ' ' ' DG' . . . . . 0.591 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.582 12.364 3 O4'-C4'-C3' 94.649 -10.951 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.28 -15.104 3 C5'-C4'-O4' 92.547 -10.533 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' OH ' ' CZ2' ' A' ' 47' ' ' TRP . 4.1 m-30 -81.3 -32.04 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.36 -37.77 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.26 42.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.56 -33.18 69.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.4 mp -67.37 -59.33 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 9' ' ' ILE . 81.6 p -45.62 -38.91 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 29.6 ttp -75.65 -32.92 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.826 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -67.14 -32.54 73.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.061 HG12 HD13 ' A' ' 79' ' ' LEU . 6.5 tp -84.38 -43.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD11 ' CD2' ' A' ' 87' ' ' PHE . 67.2 mt -63.61 -45.22 91.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -52.95 -18.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.54 ' OG ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -115.77 78.62 7.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -3.43 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt 67.34 64.97 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 179.1 152.13 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 16' ' ' ILE . 12.1 tp -164.74 159.89 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -136.05 125.24 24.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -47.2 -49.56 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.538 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 m -62.31 -46.96 86.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.35 72.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -66.7 -45.33 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.3 t -55.37 -33.97 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.33 -42.92 29.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.84 -29.22 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 16.7 mm -81.29 -56.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 22.1 p -55.25 -33.16 62.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.38 -32.78 68.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -80.11 -50.82 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CB ' ' CD2' ' A' ' 40' ' ' TYR . 62.3 m-85 -113.51 118.4 43.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -52.21 -37.37 54.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 13.1 m-30 -66.7 -36.85 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 4.1 ttp180 -80.06 -13.94 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -81.7 -55.61 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -75.56 -53.01 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 1.4 t80 36.07 61.74 2.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 43.82 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 91.43 66.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.863 ' CE3' HD11 ' A' ' 51' ' ' ILE . 7.9 m95 -82.06 -0.05 42.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.573 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -68.88 -60.85 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.573 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -75.58 -34.37 60.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -54.67 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.863 HD11 ' CE3' ' A' ' 47' ' ' TRP . 26.6 mm -65.58 -58.69 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.539 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 10.9 mtt180 -49.85 -33.18 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 43.7 t60 -68.82 -57.42 5.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 14.1 m-80 -69.48 -12.65 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -83.57 -54.34 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -80.61 -50.67 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -68.44 80.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.28 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -66.21 -46.54 76.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 15.0 m 68.46 64.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -115.86 -163.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' THR . 47.4 t -117.38 137.33 51.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -122.58 169.37 11.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -118.38 121.94 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -41.05 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -106.72 169.08 7.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.67 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.74 43.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -134.82 64.32 62.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.02 79.63 2.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.11 -80.14 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 54.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ASN . . . -116.92 77.41 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.411 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 9.3 p-10 -111.81 -174.54 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CB ' HG12 ' A' ' 64' ' ' ILE . 1.8 m-85 -145.94 136.01 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 8.5 m0 -125.73 129.63 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' VAL . 23.8 m -119.82 130.49 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.061 HD13 HG12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.04 145.14 45.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.32 170.4 10.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 66.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 79' ' ' LEU . 9.9 t -54.93 -54.27 44.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.26 -17.09 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.92 -51.49 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 3.5 ptt? -66.85 -16.3 64.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 18.6 m-85 -81.25 -41.24 22.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -41.64 -32.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.9 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 37' ' ' PHE . 53.3 mt -49.04 -34.01 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 51' ' ' ILE . 21.1 mm -74.53 -50.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.617 HG22 HD22 ' A' ' 17' ' ' LEU . 50.2 m -45.13 -39.11 5.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -40.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -54.68 -38.25 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 79' ' ' LEU . 38.4 mm -81.78 -53.95 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -50.37 -43.0 54.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.09 -24.19 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 13.4 p -123.32 74.66 51.48 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.82 19.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -70.11 -94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 4.7 tttp 178.79 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -176.43 143.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.824 HD22 ' O ' ' A' ' 23' ' ' LYS . 2.7 mm? -142.3 159.01 43.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 p -144.34 94.96 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.1 tm? -44.71 -47.88 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 89.7 p -61.09 -56.57 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.79 -45.52 94.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.484 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mp -57.5 -42.93 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.15 -46.87 82.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -31.88 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -69.63 -29.58 67.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.422 HG23 ' HD1' ' A' ' 37' ' ' PHE . 4.3 mt -77.51 -55.16 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -50.9 -38.3 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.43 -49.61 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -64.68 -55.24 21.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -114.95 91.67 27.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 14.9 p90 -52.47 -38.17 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.9 t80 -59.21 -37.4 77.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -32.78 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -10.58 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -109.68 1.09 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 1.1 t80 -176.95 68.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 80.78 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . 171.5 59.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -110.91 40.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' OE1' ' OD1' ' A' ' 49' ' ' ASN . 13.4 tt0 -78.94 -61.02 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' OE1' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -78.04 -37.0 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.626 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -53.88 -53.19 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG23 HD11 ' A' ' 12' ' ' ILE . 9.2 mm -68.52 -47.75 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -55.75 -25.13 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.486 ' NE2' HD22 ' A' ' 57' ' ' LEU . 28.9 t-80 -78.64 -53.76 6.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.31 -13.08 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -82.66 -56.45 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.629 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -80.24 -49.07 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -78.38 73.43 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.37 -41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 1.1 m-20 -76.51 -44.65 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.5 m 69.29 54.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.31 -152.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 78' ' ' THR . 27.3 m -130.86 164.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.38 171.12 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -119.53 122.19 29.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.1 Cg_endo -75.03 -169.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 73.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -81.51 -59.03 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.99 53.1 4.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -71.69 155.83 91.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.01 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.38 -111.27 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.76 58.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.27 87.1 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 16.9 p-10 -127.61 171.26 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 1.014 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -149.21 141.16 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 17.4 m0 -119.26 149.94 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' HG23 ' A' ' 62' ' ' VAL . 22.5 m -119.3 126.98 52.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.8 tt -117.23 149.84 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.841 ' O ' HD23 ' A' ' 79' ' ' LEU . 12.0 t70 -72.86 145.0 86.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.02 82.97 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 168.39 40.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -72.53 -38.07 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.97 -36.47 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.32 -58.16 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 4.0 ptt? -59.92 -15.01 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 83' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 37.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.961 ' HB3' HD12 ' A' ' 51' ' ' ILE . 31.3 m-85 -69.17 -31.67 70.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 tt -51.06 -52.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.1 -50.28 73.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.726 HD22 ' HE2' ' A' ' 37' ' ' PHE . 59.3 mt -54.21 -28.52 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.95 HD12 HD13 ' A' ' 55' ' ' LEU . 5.6 mm -78.01 -59.21 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.816 ' O ' HD23 ' A' ' 17' ' ' LEU . 29.4 p -39.7 -36.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.3 ttp -80.96 -45.78 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -56.26 -33.66 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 55' ' ' LEU . 39.6 mm -77.77 -51.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 13' ' ' THR . 4.1 mm? -57.13 -40.06 76.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -47.4 -28.32 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 3.8 p -119.08 77.57 16.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.78 14.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -71.42 -91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.25 73.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.976 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -177.84 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -149.37 175.25 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 179.59 110.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.5 tm? -50.38 -50.79 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -49.82 -49.51 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.1 85.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mp -59.87 -63.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.0 t -48.85 -41.24 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -36.66 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.7 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.89 -19.34 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 5.8 mm -74.21 -40.43 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -71.21 -45.69 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -51.05 -42.17 60.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -75.63 -45.82 35.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.726 ' HE2' HD22 ' A' ' 11' ' ' LEU . 12.5 m-85 -125.84 106.44 25.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -50.77 -37.49 42.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -40.43 96.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -80.36 -18.66 48.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -50.71 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -78.29 -49.48 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 10.9 t80 43.15 73.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.01 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 68.5 59.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.4 p-90 -97.15 28.09 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -71.69 -69.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -71.07 -22.78 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' OG ' ' CE2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -62.46 -54.95 32.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 8' ' ' TYR . 3.6 tp -66.92 -43.07 89.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 16.2 mtt180 -61.27 -32.26 72.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 1.1 t-80 -68.05 -59.55 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.67 -13.11 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 12' ' ' ILE . 10.3 tp -82.57 -52.34 6.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.597 ' OG ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.48 -55.0 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.051 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.597 HD22 ' OG ' ' A' ' 56' ' ' SER . 4.3 mm? -72.31 82.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 165.42 -54.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.4 m-20 -81.56 -46.73 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.4 t 76.28 62.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.332 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -119.22 -162.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 13.6 t -119.71 149.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.671 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -134.17 168.41 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.959 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.8 tt -118.4 120.28 32.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HB2' ' NH2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 65' ' ' PRO . 4.7 mtm-85 -33.58 116.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -105.88 120.69 48.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.21 2.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.29 -36.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.95 91.68 49.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.35 -96.68 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.52 55.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.42 100.57 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.664 HD22 ' HD1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -142.9 170.94 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.959 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.6 151.47 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.671 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 20.5 m0 -121.03 148.0 44.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 41.4 m -117.68 141.5 48.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.84 144.28 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.7 160.97 62.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 179.44 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 p -80.01 -55.63 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -16.6 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.65 -49.81 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -71.45 -17.73 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 86' ' ' MET . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 8' ' ' TYR . 41.0 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.7 m-85 -75.02 -29.66 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 13' ' ' THR . 13.3 tt -40.6 -29.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -74.79 -51.87 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 33' ' ' ILE . 11.1 mp -58.91 -29.06 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 8' ' ' TYR . 3.2 mp -77.47 -56.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 9' ' ' ILE . 3.2 p -44.13 -35.68 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.1 ttp -80.4 -42.23 23.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -58.53 -35.91 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.664 HG13 HD11 ' A' ' 24' ' ' LEU . 1.5 mp -79.01 -49.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 13' ' ' THR . 2.1 mm? -55.9 -31.8 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.81 -17.59 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 p -127.55 68.16 73.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.04 -4.31 15.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.45 -89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 173.32 64.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.12 146.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 16' ' ' ILE . 10.5 mt -144.38 169.27 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' C ' ' A' ' 24' ' ' LEU . 36.6 p -156.09 100.24 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.1 tp -45.37 -41.49 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -54.49 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -28.0 72.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.38 -44.11 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.6 t -62.32 -37.24 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.87 -37.2 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.25 -34.24 77.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.657 ' CG2' HD23 ' A' ' 11' ' ' LEU . 1.6 mt -81.69 -53.92 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -46.28 -43.38 15.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -48.57 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -58.64 -39.92 81.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -129.97 93.97 32.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -20.88 16.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.77 -28.87 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HH ' ' HE1' ' A' ' 8' ' ' TYR . 2.2 t80 -65.32 -62.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -52.45 -32.22 38.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.74 -22.93 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.19 19.24 16.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -154.22 94.14 2.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.1 Cg_endo -75.07 18.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 175.27 82.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 44.6 p-90 -125.92 31.41 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -81.58 -48.3 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.535 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 77.7 m-20 -72.58 -39.94 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 3.3 m -47.7 -57.46 5.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -65.93 -42.75 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.565 ' NH1' ' CB ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -54.99 -31.6 61.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 9.0 t-80 -73.6 -56.67 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.682 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.5 -14.51 63.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 2.2 tp -84.86 -58.37 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.565 ' CB ' ' NH1' ' A' ' 52' ' ' ARG . 15.9 p -77.36 -51.16 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -80.92 83.6 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.17 -64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.588 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -67.9 -49.34 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 80.57 63.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -126.39 -164.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' HB ' ' A' ' 78' ' ' THR . 4.4 m -120.11 157.91 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -140.27 173.68 11.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.1 tt -116.4 121.66 33.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 18.5 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.17 110.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.22 159.95 30.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 74.97 3.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.44 44.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 1.6 m120 -119.42 78.5 19.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.03 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.98 -57.93 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -142.51 60.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -120.47 71.79 0.35 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.535 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 13.0 p30 -135.36 175.42 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.692 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -151.25 154.15 36.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 16.6 m0 -119.79 173.56 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HG23 ' A' ' 62' ' ' VAL . 43.2 m -142.5 138.67 31.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -116.71 167.43 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.8 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -103.65 159.05 30.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.0 92.06 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.6 mt-30 165.39 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -81.63 -55.19 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.68 -28.4 55.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.04 -45.23 82.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mtm -54.75 -37.14 65.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 13' ' ' THR . 4.4 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 9' ' ' ILE . 79.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.704 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 9.6 t80 -83.77 -31.82 25.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 9' ' ' ILE . 6.2 tp -40.69 -28.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -73.17 -53.79 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.766 ' HB3' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -54.3 -41.81 69.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 55' ' ' LEU . 15.9 mm -67.91 -48.63 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 87' ' ' PHE . 1.9 m -41.13 -45.91 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 13.7 ttp -79.69 -33.31 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.639 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -58.85 -35.16 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 24' ' ' LEU . 8.5 mm -81.95 -50.02 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.32 -48.62 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.2 pp0? -43.65 -31.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.762 ' OG ' HD22 ' A' ' 24' ' ' LEU . 2.4 p -116.71 76.91 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 37.91 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -118.32 -11.03 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 64.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.79 111.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -155.99 168.79 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -120.38 131.37 54.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -52.54 -41.17 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -59.3 -57.62 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.2 -41.19 78.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.508 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -61.32 -56.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.461 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.7 t -46.61 -38.4 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.316 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.81 -21.8 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 11' ' ' LEU . 29.7 mm -80.94 -54.74 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 19.8 m -55.88 -46.14 78.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.09 -40.32 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -76.63 -50.28 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 11' ' ' LEU . 3.0 m-85 -122.1 107.73 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -45.72 -41.02 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.6 m-30 -68.13 -37.55 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.34 -17.89 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.7 mttm -70.9 -56.94 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 3.6 t80 27.86 62.19 0.65 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -21.24 16.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.783 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.61 ' HB1' ' OD1' ' A' ' 49' ' ' ASN . . . -179.51 54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.704 ' CZ3' ' CD1' ' A' ' 8' ' ' TYR . 3.2 m95 -72.15 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' TRP . 1.4 tt0 -36.42 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.61 ' OD1' ' HB1' ' A' ' 46' ' ' ALA . 3.4 m120 -78.68 -56.27 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 1.1 t -65.07 -30.25 71.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 20.9 mt -68.21 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 6.3 mtt-85 -62.22 -16.13 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.549 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 29.4 t-80 -80.86 -54.48 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 50' ' ' SER . 30.6 m120 -70.61 -24.34 62.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -81.65 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.9 p -70.87 -50.53 34.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -81.83 86.82 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.2 m120 154.28 -58.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.599 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 4.4 m-20 -68.26 -67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.599 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 96.59 56.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.855 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -117.81 -167.09 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 m -119.43 140.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.92 171.07 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 76' ' ' TYR . 6.9 tt -118.09 129.95 25.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.86 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -80.56 166.71 37.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' CD ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.04 55.22 3.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.13 53.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -115.1 87.11 14.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.1 Cg_endo -75.04 52.46 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.753 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.94 -52.53 0.85 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -145.02 68.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -132.13 76.8 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 6.7 p30 -122.74 179.44 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.812 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -143.11 141.08 31.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.6 m0 -125.82 151.66 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 55.3 m -139.3 125.03 19.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.855 HD12 ' HD2' ' A' ' 61' ' ' PHE . 1.5 tt -114.85 153.56 30.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -73.01 149.85 89.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -177.64 35.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HB2' HD21 ' A' ' 79' ' ' LEU . 7.6 t -72.24 -54.47 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 -25.03 58.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -71.06 -49.36 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 87' ' ' PHE . 2.1 ptt? -72.78 -21.35 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' ' HE3' ' A' ' 86' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.825 ' CE2' HD11 ' A' ' 12' ' ' ILE . 5.5 t80 -82.54 -21.63 35.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.953 ' O ' HG23 ' A' ' 13' ' ' THR . 8.1 tt -47.95 -47.53 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -64.56 -57.94 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 40' ' ' TYR . 13.1 mt -50.46 -31.53 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.825 HD11 ' CE2' ' A' ' 8' ' ' TYR . 8.8 mm -68.55 -55.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.953 HG23 ' O ' ' A' ' 9' ' ' ILE . 43.8 p -45.22 -40.65 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 2.2 ptt? -82.01 -22.38 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.63 -42.86 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 55' ' ' LEU . 1.8 mp -79.3 -39.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 13' ' ' THR . 1.7 mp -59.55 -40.58 87.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -63.32 -25.87 68.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 24' ' ' LEU . 65.4 p -122.02 70.06 29.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -10.73 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mppt? 70.06 58.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 179.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -140.05 160.71 39.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' OD1' ' A' ' 75' ' ' ASN . 2.3 m -114.96 128.33 56.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -53.81 -52.93 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 p -48.43 -51.37 27.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.532 ' H ' HG22 ' A' ' 25' ' ' THR . . . -61.08 -38.66 95.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -62.67 -45.23 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.0 t -55.5 -48.42 74.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.44 -26.92 68.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.6 -24.25 49.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 8' ' ' TYR . 33.8 mm -80.89 -53.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' PHE . 59.3 p -60.62 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.24 -35.03 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 3.8 mmt-85 -72.41 -41.32 66.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 36' ' ' ARG . 30.2 m-85 -132.49 125.11 19.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.8 10.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.685 ' CE2' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -56.15 -43.48 78.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE1' ' CE2' ' A' ' 39' ' ' TYR . 11.5 m-85 -65.0 -41.58 95.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.46 -42.11 77.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.68 -15.49 51.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.742 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -120.07 56.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 4.0 t80 -113.52 61.75 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.97 -18.88 18.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB1' ' ND2' ' A' ' 49' ' ' ASN . . . -179.58 52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.95 ' O ' HG23 ' A' ' 51' ' ' ILE . 3.2 m95 -71.86 -46.71 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.547 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -44.96 -33.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.547 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 28.0 m-20 -82.56 -48.61 10.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.49 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . 26.8 t -63.03 -32.69 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 47' ' ' TRP . 7.1 pt -73.75 -56.6 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.6 mpp_? -61.76 -18.45 59.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' LEU . 50.7 t-80 -82.11 -56.6 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' SER . 34.1 m120 -71.9 -19.18 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.93 -56.01 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.583 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 51.1 p -76.98 -51.7 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -79.82 77.43 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 166.4 -59.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.9 m-20 -66.9 -57.39 7.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.19 55.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -122.61 -163.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.43 151.11 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -129.56 173.41 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.787 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 tp -116.96 119.54 35.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tpt85 -35.46 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tp10 -105.89 133.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.28 2.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.566 1.824 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.14 -53.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.65 114.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.07 -97.4 0.17 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -142.73 56.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.57 93.82 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.674 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 17.8 p-10 -122.47 -158.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.787 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -158.92 140.08 13.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CD1' ' ND2' ' A' ' 75' ' ' ASN . 10.7 m0 -125.65 136.83 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 94.1 m -121.19 132.1 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' A' ' 61' ' ' PHE . 2.1 tt -116.61 151.47 36.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.69 ' O ' HD23 ' A' ' 79' ' ' LEU . 8.3 t70 -68.65 146.31 97.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.06 86.92 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 163.71 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.563 ' HB3' HD21 ' A' ' 79' ' ' LEU . 3.4 p -78.97 -35.75 42.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.47 -36.26 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.48 -56.53 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 83' ' ' SER . 25.8 ptt? -57.61 -33.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 64.5 m-85 -81.09 -47.5 13.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -39.45 -33.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -54.22 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' ILE . 2.9 mm? -59.39 -29.84 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 55' ' ' LEU . 10.4 mm -66.55 -51.9 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.709 ' O ' HD23 ' A' ' 17' ' ' LEU . 48.2 m -52.4 -39.84 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 10.0 ttp -79.76 -22.11 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -74.49 -36.9 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.755 HD12 HD13 ' A' ' 79' ' ' LEU . 27.5 mm -81.61 -37.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -68.93 -52.4 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' MET . 1.1 pp0? -51.02 -24.79 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.4 p -119.48 74.26 16.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 40.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.8 OUTLIER -119.87 -13.93 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.91 61.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.88 105.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -148.58 165.81 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 76' ' ' TYR . 80.4 p -114.9 132.6 56.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -52.97 -45.19 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.507 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 23.0 t -59.25 -55.34 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -33.65 61.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.565 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -67.41 -52.35 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 39.0 t -54.08 -33.33 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.01 -33.71 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.38 -33.44 71.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.776 HG21 ' HZ3' ' A' ' 47' ' ' TRP . 5.9 mt -75.63 -58.48 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -46.2 -32.22 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.26 -37.57 72.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -76.39 -37.68 56.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.651 ' CE1' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -125.71 108.49 25.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.38 14.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -71.22 -38.49 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.816 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -58.81 -45.14 90.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -70.56 -9.14 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.71 -51.37 8.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.0 tptt -78.47 -53.92 6.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 0.5 OUTLIER 26.25 65.34 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 50' ' ' SER . . . -178.78 47.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.816 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.1 m95 -70.87 -5.08 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -69.32 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -76.46 -31.14 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 1.7 p -48.89 -54.28 16.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 55' ' ' LEU . 6.4 pt -77.26 -50.4 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.599 ' NE2' HD22 ' A' ' 57' ' ' LEU . 53.8 t-80 -80.3 -58.73 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 8' ' ' TYR . 64.4 m-80 -65.61 -11.51 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.621 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -86.07 -59.62 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.28 -47.69 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.599 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.12 87.69 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.1 m120 155.38 -49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.4 m-20 -80.71 -61.31 2.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.6 t 95.43 61.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.759 ' CD2' HD12 ' A' ' 79' ' ' LEU . 1.8 p90 -126.23 -160.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.34 165.77 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -174.59 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 13.4 mm -122.49 109.29 32.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.06 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' PRO . 5.7 mtm-85 -33.45 103.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -127.9 176.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 63.85 6.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 175.05 49.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 7.0 m-20 -132.58 64.19 70.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 70.83 5.18 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.45 -65.9 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -142.64 58.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -117.74 126.45 6.91 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.9 p-10 -162.57 -178.36 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 12.9 m-85 -150.51 138.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.621 ' CZ3' ' HG ' ' A' ' 55' ' ' LEU . 11.1 m0 -124.23 136.93 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.3 m -118.15 135.44 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.6 tt -119.14 157.21 28.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.816 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.19 155.5 46.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -75.05 90.46 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.9 mt-30 165.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 60.6 p -81.07 -41.86 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.7 -57.04 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 59' ' ' ASP . 22.8 ttp -71.42 -36.59 71.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CD2' ' O ' ' A' ' 83' ' ' SER . 11.2 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.558 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 43.9 m-85 -51.21 -27.65 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 10' ' ' ALA . 8.0 pt -61.2 -36.49 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -70.25 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD13 HD13 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -47.97 -34.33 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 51' ' ' ILE . 4.9 mm -69.94 -53.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 6.4 tmm? -80.43 -36.17 34.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -60.94 -28.57 69.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 HG23 ' A' ' 12' ' ' ILE . 1.6 mp -85.31 -49.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.0 -39.65 82.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.38 -26.04 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.561 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.6 p -120.8 73.37 23.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 -4.81 15.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.05 -8.68 47.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 70.48 57.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.66 112.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -149.63 160.14 43.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.515 ' O ' HD13 ' A' ' 29' ' ' ILE . 78.2 p -118.24 127.01 53.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 55' ' ' LEU . 1.9 tm? -50.74 -53.28 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 t -50.38 -52.21 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.07 -31.66 81.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.563 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -65.71 -45.53 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.7 t -61.12 -38.62 86.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -64.51 -39.49 93.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -71.34 -32.48 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.657 HD13 HD13 ' A' ' 11' ' ' LEU . 2.5 mt -75.95 -26.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' PHE . 54.6 p -71.59 -43.87 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.36 -44.71 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 3.7 mmt180 -67.84 -32.45 72.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -130.14 105.13 16.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 8.0 p90 -57.5 -30.53 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 3.1 t80 -61.89 -49.97 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -75.93 -6.82 52.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 1.8 mt-10 -81.54 -46.97 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.5 tptp -80.2 -48.07 13.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 35.85 72.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.0 31.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 75.22 57.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 8.7 p-90 -94.07 26.48 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.443 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.17 -66.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -73.07 -18.87 61.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.3 m -64.53 -56.48 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -68.32 -37.11 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -71.21 -59.2 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TYR . 2.8 m-20 -65.78 -14.82 62.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 26' ' ' LEU . 3.0 tp -81.98 -54.32 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 84.1 p -71.56 -53.29 14.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 87.27 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.57 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.8 m-20 -78.77 -48.36 14.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER 89.9 75.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 8.8 p90 -136.35 -163.95 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 78' ' ' THR . 32.2 m -123.44 163.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -177.7 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.6 mm -117.5 123.65 29.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 -160.58 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 58.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.767 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 1.5 tt0 -141.22 43.15 0.51 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HD3' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.02 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.76 5.08 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.31 137.92 27.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.2 -164.89 34.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.67 40.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.52 127.07 8.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.637 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 30.9 p30 -141.94 -164.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 13.8 m-85 -147.7 143.1 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.1 m0 -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' VAL . 72.8 m -116.99 142.77 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -120.54 162.51 19.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.595 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.7 t70 -81.67 144.76 53.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.02 81.52 2.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.1 mt-30 163.66 43.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 90.3 p -72.94 -53.36 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.55 -53.52 56.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.13 -41.51 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 33.2 ttp -62.42 -54.19 43.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HB3' HD12 ' A' ' 51' ' ' ILE . 23.4 m-85 -82.12 -20.17 38.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -48.07 -43.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG1' ' A' ' 13' ' ' THR . . . -65.05 -52.01 58.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 37' ' ' PHE . 45.3 mt -54.31 -37.82 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 51' ' ' ILE . 1.1 mp -68.6 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.672 HG21 ' CE1' ' A' ' 87' ' ' PHE . 1.6 p -41.6 -33.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 11.6 ttp -79.9 -40.71 27.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -59.71 -26.66 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 79' ' ' LEU . 31.0 mm -84.08 -56.47 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 13' ' ' THR . 0.8 OUTLIER -55.03 -45.62 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -47.5 -40.27 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 31.0 p -68.35 108.59 2.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 -4.18 15.02 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.1 33.72 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 29.66 64.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' SER . 13.5 ttmt -174.65 142.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 29' ' ' ILE . 2.1 pt? -157.98 167.5 29.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.9 m -121.74 143.07 49.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.639 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.9 tm? -59.12 -56.38 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.6 p -47.68 -55.83 8.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.94 -34.97 81.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 25' ' ' THR . 1.1 mp -63.68 -53.32 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 t -48.96 -42.93 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -73.12 -22.35 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 29' ' ' ILE . 37.8 mm -80.44 -43.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 43.5 p -69.16 -57.64 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.2 -46.81 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 10.0 mmm180 -64.03 -54.28 36.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 39.5 m-85 -118.0 119.84 33.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -54.4 -38.95 66.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.79 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.5 m-30 -64.99 -36.82 85.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 4.2 ttt180 -79.97 -22.33 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.82 -58.91 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' PHE . 5.6 mtmt -71.61 -53.72 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.6 t80 23.37 62.1 0.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -25.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 176.26 59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CH2' ' CG ' ' A' ' 40' ' ' TYR . 18.6 m95 -80.44 -11.88 59.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.002 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.8 tt0 -62.8 -55.43 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.48 -36.25 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -58.38 -52.39 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.671 HD12 ' HB3' ' A' ' 8' ' ' TYR . 1.2 tp -69.81 -52.07 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.4 mtt180 -56.9 -28.18 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 41.5 t-80 -74.88 -58.09 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -66.86 -14.77 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 61' ' ' PHE . 10.3 tp -84.13 -55.16 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.02 -51.64 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.964 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 mm? -80.55 91.37 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 151.17 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 6.9 m-20 -81.19 -41.63 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 47.3 m 67.52 74.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -128.96 -145.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 33.3 m -134.86 156.25 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -136.98 177.27 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' OE1' ' A' ' 67' ' ' GLU . 9.1 mm -119.09 113.56 35.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -75.04 178.58 7.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' PRO . 11.1 tpt180 -37.55 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' OE1' HD12 ' A' ' 64' ' ' ILE . 2.2 mt-10 -128.54 164.47 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.96 -76.68 1.05 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.81 129.02 14.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.41 -88.26 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 61.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.5 114.26 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -141.16 -173.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -147.8 129.12 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 12.0 m0 -121.7 140.25 52.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 108.035 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 52.6 m -130.72 139.69 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 HG21 ' A' ' 16' ' ' ILE . 8.3 tt -115.79 156.49 25.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.721 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.2 m-20 -68.67 157.41 88.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -165.15 37.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.428 ' HA ' ' SD ' ' A' ' 86' ' ' MET . 2.1 t -79.48 -31.47 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -33.7 28.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -55.02 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 83' ' ' SER . 3.3 ptm -62.32 -11.56 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.545 ' HD2' HD12 ' A' ' 51' ' ' ILE . 4.1 m-85 -58.21 -25.03 61.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -50.57 -40.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -66.04 -55.72 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -49.73 -35.96 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 55' ' ' LEU . 1.1 mp -73.08 -41.07 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 17' ' ' LEU . 18.4 m -51.43 -48.69 62.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 18.2 ptm -74.08 -30.32 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -65.14 -31.69 73.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 24' ' ' LEU . 32.6 mm -79.84 -49.66 18.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 13' ' ' THR . 4.4 mm? -58.26 -27.75 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -56.91 -28.09 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.869 ' OG ' HD23 ' A' ' 24' ' ' LEU . 18.6 p -111.37 95.08 24.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 14.96 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -114.5 13.19 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 40.14 59.02 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 112.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -144.6 173.71 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 75' ' ' ASN . 30.5 p -111.96 123.82 51.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -48.08 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -60.42 -51.17 70.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.1 -45.08 83.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -63.84 -44.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -35.22 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.34 -39.78 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.3 -30.56 71.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.3 mt -79.2 -57.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -33.81 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 5.6 mmm180 -63.71 -31.02 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -137.76 88.47 16.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 9.8 p90 -73.88 -28.07 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -63.86 -50.15 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -63.56 -20.1 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.29 -40.48 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.97 10.38 41.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -148.53 71.14 10.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.76 3.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.26 63.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.825 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 4.2 m95 -107.33 12.87 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.533 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -78.48 -71.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.533 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -75.84 -29.85 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -53.9 -56.14 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.825 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 3.8 tp -70.67 -47.82 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.49 -37.19 56.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CE1' HD22 ' A' ' 57' ' ' LEU . 37.2 t-80 -66.91 -58.3 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 34.2 m120 -67.1 -12.03 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 20.9 tp -85.02 -57.86 2.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.562 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -78.02 -50.58 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.2 tt -76.56 77.9 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.93 -51.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 21.6 m-20 -80.15 -45.44 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m 68.88 65.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -118.78 -160.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.415 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 92.9 t -119.65 147.96 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 164.33 30.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.4 pp -118.16 129.03 25.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.0 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -48.02 92.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.5 mt-10 -87.74 165.03 32.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 58.26 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 36.95 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -125.38 79.31 66.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.29 -76.31 1.0 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 54.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -106.28 69.81 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' THR . 34.7 p-10 -109.68 166.07 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 64' ' ' ILE . 8.7 m-85 -133.91 140.33 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.54 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 9.5 m0 -125.59 138.49 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 20.1 m -120.26 152.02 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -117.0 152.05 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -85.65 165.94 32.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.83 4.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 86' ' ' MET . 23.0 tt0 -175.09 36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.696 ' HB2' HD22 ' A' ' 79' ' ' LEU . 41.5 t -78.66 -52.18 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.89 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -41.86 71.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 49.1 ttp -65.66 -56.71 10.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 5.0 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.588 ' O ' HD23 ' A' ' 11' ' ' LEU . 51.1 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.531 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.5 m-85 -63.4 -50.67 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.91 -47.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 37' ' ' PHE . 4.5 mm? -58.61 -33.9 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.589 HD13 ' N ' ' A' ' 12' ' ' ILE . 2.7 mm -66.1 -57.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.987 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.2 m -43.09 -49.73 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.585 ' SD ' HD13 ' A' ' 11' ' ' LEU . 18.7 ptm -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -79.2 -55.63 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.858 HD12 HD13 ' A' ' 79' ' ' LEU . 36.2 mm -54.18 -35.51 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -64.97 -12.16 46.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 8.2 mm100 -71.38 -35.68 71.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.647 ' OG ' HD13 ' A' ' 24' ' ' LEU . 24.1 p -126.11 66.33 59.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.04 53.96 3.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 13.1 tt0 -138.96 -78.23 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 172.52 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -179.93 133.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.647 HD13 ' OG ' ' A' ' 19' ' ' SER . 8.8 tp -156.75 172.45 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 75' ' ' ASN . 89.5 m -157.94 117.94 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -50.08 -52.5 34.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 p -47.83 -46.85 31.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.47 85.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -66.1 -59.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.588 ' N ' HG22 ' A' ' 29' ' ' ILE . 2.0 t -49.6 -39.27 34.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -34.03 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -80.82 -17.18 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.51 HG13 ' CD1' ' A' ' 51' ' ' ILE . 30.9 mm -81.55 -56.18 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -57.97 -35.38 71.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.55 -48.58 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -74.63 -37.17 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CE2' HD11 ' A' ' 11' ' ' LEU . 14.8 m-85 -135.86 96.94 12.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD1' ' A' ' 40' ' ' TYR . 20.3 p90 -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.688 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -55.17 -46.44 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -33.85 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.71 -25.32 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -31.72 41.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -144.91 102.19 4.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.82 67.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 4.5 m95 -106.2 13.02 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.953 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -76.08 -77.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 50' ' ' SER . 5.9 p30 -64.8 -29.91 70.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.585 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 1.9 m -58.76 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 33' ' ' ILE . 4.2 tt -64.38 -46.54 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 52' ' ' ARG . 1.1 tmm_? -51.78 -41.28 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.09 -54.58 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.606 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.39 -11.59 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CZ3' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -83.07 -60.48 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -74.24 -49.32 23.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -78.76 75.97 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 169.74 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 72.6 m-20 -80.02 -56.88 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.9 m 89.08 72.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 1.1 p90 -127.45 -167.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' HB ' ' A' ' 78' ' ' THR . 15.5 m -119.33 138.83 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -122.83 -179.61 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 10.0 mm -119.59 118.67 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -36.43 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' PRO . 18.6 tt0 -107.6 141.54 23.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.01 61.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.51 -58.8 0.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.81 121.16 11.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.37 -91.4 0.14 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 56.33 1.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.56 108.87 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 77' ' ' TRP . 20.8 p-10 -135.73 -168.38 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -141.77 143.5 33.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.667 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.0 m0 -131.02 144.13 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.598 ' HB ' HG23 ' A' ' 62' ' ' VAL . 28.8 m -132.57 128.29 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD13 HD12 ' A' ' 16' ' ' ILE . 2.7 tt -117.22 155.3 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -73.06 148.14 88.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 80.34 2.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.32 40.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.2 p -74.91 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -48.78 -30.6 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.02 -41.45 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.638 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 tmm? -59.03 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CZ ' ' HE1' ' A' ' 86' ' ' MET . 61.8 m-85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 8' ' ' TYR . 9.7 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' N ' ' OG ' ' A' ' 7' ' ' SER . 31.4 m-85 -80.51 -24.16 39.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.558 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -40.9 -38.62 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.78 -52.13 65.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.696 HD11 ' CE2' ' A' ' 37' ' ' PHE . 15.1 mt -60.2 -34.3 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 55' ' ' LEU . 19.7 mm -64.62 -60.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.997 HG21 ' CE1' ' A' ' 87' ' ' PHE . 22.7 p -45.71 -37.06 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 37.4 ttp -79.33 -29.31 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -67.74 -35.12 78.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.593 HG12 HD13 ' A' ' 79' ' ' LEU . 1.8 mp -83.84 -48.04 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -56.21 -51.19 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.1 pp0? -47.7 -28.6 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.463 ' OG ' HD22 ' A' ' 24' ' ' LEU . 85.3 p -118.71 75.93 13.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 5.28 4.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -9.38 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 66.97 58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER 179.23 105.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -141.2 160.2 40.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 51.9 p -115.3 122.48 46.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.0 tm? -46.72 -44.15 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 88.7 p -57.02 -56.53 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.66 -35.32 66.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -64.7 -51.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -50.32 -45.53 54.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.76 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -23.87 60.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 11' ' ' LEU . 26.3 mm -77.4 -57.29 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 p -55.2 -46.51 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -50.88 -45.22 59.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -67.58 -51.1 54.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 11' ' ' LEU . 2.6 m-85 -124.74 100.8 33.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 46.1 p90 -55.72 -37.3 68.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 2.1 t80 -54.23 -40.89 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.72 -35.14 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.39 -11.38 60.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 2.5 tmtt? -105.6 -36.02 7.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.663 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 2.3 t80 -141.09 68.37 27.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . -178.35 61.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.623 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -111.72 21.18 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 4.6 tt0 -54.7 -63.5 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.595 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.03 -27.62 48.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -60.13 -54.92 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.494 ' CG1' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -69.7 -49.25 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.0 mpp_? -50.56 -50.77 52.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 42.4 t-80 -55.71 -58.31 8.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.21 -13.06 15.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -82.71 -59.97 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -74.05 -51.55 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 3.9 mm? -71.8 66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 169.46 -55.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.614 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.1 m-20 -75.49 -45.23 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 13.2 m 70.44 60.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -121.91 -163.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.46 151.86 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -138.66 160.88 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 76' ' ' TYR . 12.2 tt -116.57 134.24 22.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.88 115.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 9.6 mm-40 -98.56 149.59 35.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.27 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.95 -61.5 6.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.97 100.97 6.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.3 Cg_endo -74.94 -96.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 20.52 -91.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' PRO . 23.0 mtpt -139.36 41.11 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.4 122.36 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.0 p-10 -149.49 172.04 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -132.98 140.0 47.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 10.1 m0 -130.13 133.67 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.593 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 56.7 m -117.47 129.45 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.869 HD12 ' HD2' ' A' ' 61' ' ' PHE . 5.2 tt -115.35 152.19 33.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.27 148.27 83.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -74.98 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 170.76 37.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 79' ' ' LEU . 85.3 p -82.08 -52.9 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -55.04 -26.17 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.76 -40.48 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -60.18 -51.75 68.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.997 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.5 m-85 -56.08 -37.18 68.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.967 HG22 ' OD1' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -40.01 -36.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -82.61 -54.91 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' TYR . 5.9 mt -47.07 -33.27 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.697 HG21 ' HA ' ' A' ' 55' ' ' LEU . 46.8 mm -79.87 -44.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 87' ' ' PHE . 1.2 m -45.16 -44.87 11.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 7.6 ptt? -82.05 -37.34 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -56.14 -32.27 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.042 HG21 HD13 ' A' ' 79' ' ' LEU . 24.1 mm -86.26 -51.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.75 -40.9 73.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp0? -40.05 -37.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -74.67 112.77 18.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.94 -0.26 9.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -120.72 19.59 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 35.4 54.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 136.05 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 29' ' ' ILE . 1.7 pt? -170.21 -177.28 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.4 p -117.57 135.4 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -48.9 -46.12 42.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.438 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 31.1 t -48.72 -49.76 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -27.39 58.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.41 -49.75 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -50.44 -43.36 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.31 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 13.7 t80 -62.18 -31.33 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 32' ' ' PHE . 49.5 mm -82.32 -44.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -59.26 -55.82 29.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -48.96 -34.06 12.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -72.81 -52.76 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.13 122.32 32.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -36.75 66.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 3.0 m-85 -64.44 -40.25 95.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.03 -23.51 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -58.0 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' PHE . 8.5 ttpt -69.49 -56.33 7.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 1.2 t80 31.46 64.69 1.05 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 -23.05 14.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 174.85 54.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 5.4 m95 -70.33 -3.54 17.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -67.76 -75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 50' ' ' SER . 21.1 p30 -75.02 -28.52 60.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 41.5 t -57.39 -57.58 12.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 5.3 mt -64.58 -53.85 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -49.56 -38.3 30.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.614 ' NE2' HD22 ' A' ' 57' ' ' LEU . 2.9 t-80 -61.46 -56.5 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 28.6 m120 -69.58 -8.51 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.697 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -83.13 -57.95 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -82.02 -48.58 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.024 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.614 HD22 ' NE2' ' A' ' 53' ' ' HIS . 1.3 tp -68.72 79.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.967 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 160.44 -49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.583 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -79.37 -64.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.8 t 95.34 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.81 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -117.79 -163.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.48 154.39 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 179.49 6.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' OE2' ' A' ' 67' ' ' GLU . 9.3 mm -119.8 118.55 31.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 -171.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PRO . 6.1 mt-10 -113.12 166.68 10.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.72 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.75 -75.78 1.17 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.76 124.82 11.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.58 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.54 -93.56 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.14 55.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.51 137.02 9.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 25' ' ' THR . 53.5 p-10 -162.0 -165.75 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 35.9 m-85 -135.4 144.67 46.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 7.2 m95 -137.74 142.48 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 59.1 m -140.89 137.48 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.042 HD13 HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -120.11 147.09 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.08 164.07 24.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.35 3.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' SER . 10.3 pt20 -121.91 -39.86 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.706 ' CB ' HD11 ' A' ' 79' ' ' LEU . 15.3 t -52.95 -43.33 66.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.79 -53.31 59.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.29 -37.72 84.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -60.3 -43.42 96.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.807 ' CE2' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.751 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.6 m-85 -52.38 -31.24 32.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.613 HG22 ' OD1' ' A' ' 58' ' ' ASN . 1.5 pp -58.97 -36.54 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.73 -41.63 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.5 mp -64.99 -48.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.848 HG21 ' CD1' ' A' ' 87' ' ' PHE . 22.0 m -50.1 -37.27 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ttp -79.95 -28.14 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HD13 ' A' ' 24' ' ' LEU . . . -72.39 -29.02 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.047 HD12 HD21 ' A' ' 24' ' ' LEU . 1.7 tp -87.42 -32.8 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -75.8 -34.57 60.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp0? -52.13 -37.6 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -74.23 110.82 10.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 -3.83 14.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.78 29.23 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 21' ' ' GLN . 1.4 mppt? 34.77 60.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 7.5 tttt -165.81 137.1 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.047 HD21 HD12 ' A' ' 16' ' ' ILE . 1.7 pt? -161.43 172.05 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ASN . 20.6 p -121.81 123.93 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -45.56 -42.07 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.528 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 4.6 m -65.49 -56.88 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.61 52.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.843 HG12 HD12 ' A' ' 24' ' ' LEU . 1.2 mp -69.13 -46.1 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.34 57.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.96 -41.72 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.94 -29.1 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' CD1' ' A' ' 37' ' ' PHE . 3.6 mt -82.29 -55.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 p -45.08 -33.27 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.952 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.65 -47.27 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -66.79 -57.36 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 33' ' ' ILE . 1.1 m-85 -102.51 110.5 63.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.94 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 40' ' ' TYR . 50.2 p90 -53.69 -33.47 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -61.01 -40.2 92.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -75.81 -17.58 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.2 mm-40 -72.51 -50.66 24.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -76.66 -50.33 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' TRP . 3.4 t80 16.73 64.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.04 -16.42 20.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 169.84 57.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.3 m95 -77.26 6.53 6.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 46' ' ' ALA . 1.3 tt0 -78.48 -76.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 50' ' ' SER . 22.6 p30 -74.94 -27.19 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 18.2 t -52.47 -58.1 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.623 HG13 ' N ' ' A' ' 52' ' ' ARG . 3.2 pt -71.96 -47.61 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -47.92 -35.55 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.9 t60 -72.81 -54.98 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -65.4 -10.93 37.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -82.85 -59.74 2.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 7.0 t -76.04 -50.43 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 4.9 mp -74.29 78.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.613 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 157.23 -52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -73.46 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER 92.73 52.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.759 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -121.49 -169.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.45 146.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.37 -179.26 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -119.39 119.33 31.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.49 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.76 163.54 34.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.49 4.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.57 -75.95 1.32 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -135.79 139.31 30.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -80.57 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 53.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.85 118.86 6.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' ' 25' ' ' THR . 8.8 p-10 -164.78 162.33 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.506 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.0 m-85 -129.67 148.46 51.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.643 ' CZ3' ' HG2' ' A' ' 63' ' ' LYS . 10.6 m95 -134.31 129.54 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 44.1 p -125.05 132.97 53.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.759 HD12 ' HD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -116.3 156.73 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -66.7 146.41 99.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.95 3.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 177.78 35.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.745 ' HB3' HD21 ' A' ' 79' ' ' LEU . 13.6 p -81.61 -34.33 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -51.95 55.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.58 -31.66 64.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -48.18 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.848 ' CD1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' ILE . 45.1 m-85 -87.7 -8.77 55.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.518 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.2 pp -38.98 -43.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -60.14 -50.89 71.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 37' ' ' PHE . 7.0 mt -59.81 -33.18 71.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 55' ' ' LEU . 20.3 mm -65.07 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.649 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.3 p -45.18 -38.52 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 22.8 ttp -78.54 -27.09 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -70.76 -36.71 73.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 55' ' ' LEU . 1.9 mp -81.75 -33.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -75.44 -44.87 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.0 pp0? -60.96 -15.4 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 p -124.66 68.35 52.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 -9.99 20.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.81 -5.91 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.88 74.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.73 118.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.879 HD23 HD11 ' A' ' 29' ' ' ILE . 2.7 mp -123.52 175.62 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 ' H ' HD12 ' A' ' 29' ' ' ILE . 1.7 t -166.88 114.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.865 HD11 ' NH2' ' A' ' 52' ' ' ARG . 2.6 tm? -45.58 -42.67 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 33.3 p -57.06 -51.47 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.45 -28.12 71.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.879 HD11 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.33 -59.03 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.0 t -56.09 -35.91 67.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.07 -23.34 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -31.55 37.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.542 HG23 ' CE1' ' A' ' 37' ' ' PHE . 25.7 mt -80.92 -55.15 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.8 p -43.72 -38.78 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.39 -35.26 62.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.602 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 4.8 mmt180 -78.35 -40.78 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -128.01 106.87 20.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.69 -40.74 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -61.32 -40.64 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.95 -16.11 58.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -45.59 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -44.81 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 46' ' ' ALA . 17.1 t80 52.78 73.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 34.52 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 65.64 57.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CE3' HD13 ' A' ' 51' ' ' ILE . 9.4 p-90 -90.33 -5.55 56.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.3 pp0? -55.38 -37.48 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 26.9 m-20 -78.69 -31.32 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.438 ' CB ' ' CE1' ' A' ' 8' ' ' TYR . 10.9 m -61.93 -54.36 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.601 HD13 ' CE3' ' A' ' 47' ' ' TRP . 2.5 pt -65.37 -57.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.865 ' NH2' HD11 ' A' ' 26' ' ' LEU . 32.3 mtt180 -50.07 -38.64 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 20.6 t-80 -67.59 -56.69 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -63.62 -10.64 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -82.46 -57.33 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -51.12 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.3 mm? -74.21 77.28 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.02 -52.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -80.07 -63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 91.32 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 79' ' ' LEU . 3.3 p90 -125.77 -158.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.782 HG23 ' HB ' ' A' ' 78' ' ' THR . 29.9 m -116.6 162.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -148.44 167.16 26.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.3 tt -116.0 122.39 32.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -177.2 3.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -43.61 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.92 162.27 52.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.31 4.35 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.91 53.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 2.6 m120 -115.43 89.45 21.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.73 4.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.23 -55.92 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.53 59.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -113.09 67.4 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 4.0 p30 -138.47 170.21 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.95 153.95 31.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CZ2' ' HB2' ' A' ' 26' ' ' LEU . 29.2 m0 -116.86 176.26 5.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.782 ' HB ' HG23 ' A' ' 62' ' ' VAL . 18.9 m -143.78 144.72 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -119.92 159.93 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -86.67 156.55 55.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.97 84.63 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER 166.66 43.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.432 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.5 t -77.19 -45.98 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.18 -49.3 76.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.47 94.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.404 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 19.8 ttp -62.23 -45.25 94.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' HG22 ' A' ' 13' ' ' THR . 3.4 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 84.9 m-85 -82.82 -27.18 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 9' ' ' ILE . 1.2 pp -46.38 -43.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.26 86.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.8 mt -61.61 -23.95 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm -78.6 -57.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.917 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.2 p -46.69 -34.59 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -83.08 -38.51 22.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.34 -38.52 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 79' ' ' LEU . 39.6 mm -81.6 -52.3 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -50.78 -44.89 58.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.33 -27.87 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.844 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -115.34 86.18 14.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -89.38 16.59 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 34.66 68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -178.96 112.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.844 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -157.07 174.25 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 75' ' ' ASN . 54.5 m -120.36 128.09 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.644 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -51.19 -44.42 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.403 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -57.99 -56.23 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.52 -26.22 56.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.416 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -72.12 -49.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -55.43 -36.21 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.73 -36.77 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -67.25 -31.47 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 32' ' ' PHE . 6.4 mt -74.22 -58.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -54.29 -27.58 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.43 -52.27 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 4.0 mmm180 -65.67 -57.5 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 11' ' ' LEU . 16.5 m-85 -91.4 116.63 66.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.68 -42.36 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -65.8 -33.02 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -71.5 -42.66 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -11.8 59.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 10.1 mttp -142.5 72.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -112.86 76.09 2.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -75.02 41.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 63.18 59.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CD1' ' CD1' ' A' ' 44' ' ' PHE . 36.2 p-90 -82.09 6.13 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 1.6 pp0? -52.77 -45.18 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 89.9 m-20 -64.53 -37.77 88.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.3 m -66.55 -59.9 3.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 12' ' ' ILE . 2.1 tp -51.61 -60.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.65 -46.82 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 2.3 t-80 -54.8 -58.1 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.87 -8.94 32.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.667 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -79.46 -52.25 8.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.649 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.6 -48.06 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.56 76.3 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.23 -59.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 10.6 m-20 -80.84 -58.16 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.91 76.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -131.61 -163.86 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -117.53 145.46 23.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.79 176.61 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 7.5 mm -118.2 105.03 47.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.97 158.94 42.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -24.64 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.6 mt-10 -120.11 170.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' OD1' ' A' ' 70' ' ' ASN . . . 158.9 40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 69' ' ' GLY . 3.0 m-20 -135.71 76.98 52.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.4 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.5 -73.63 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -143.88 61.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.81 76.21 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' CG ' HG23 ' A' ' 25' ' ' THR . 11.9 p-10 -109.91 -169.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.466 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 56.7 m-85 -148.57 142.18 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.6 m95 -134.8 135.21 41.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.5 m -127.74 136.06 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 80' ' ' ASP . 8.6 tt -118.24 167.93 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.915 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.2 m-20 -78.53 143.56 63.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.31 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 168.78 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' MET . 43.1 t -80.22 -48.09 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -32.1 69.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.89 -43.02 99.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -51.29 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.416 ' OG ' HG22 ' A' ' 9' ' ' ILE . 51.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 51' ' ' ILE . 40.7 m-85 -82.31 -22.15 35.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.927 HD11 ' OD1' ' A' ' 58' ' ' ASN . 3.7 tp -42.72 -38.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -67.44 -55.59 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 37' ' ' PHE . 41.9 mt -54.44 -35.89 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.711 HG13 HD13 ' A' ' 55' ' ' LEU . 1.6 mp -72.76 -39.41 59.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 23.8 m -52.76 -50.57 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 ptm -76.68 -23.92 53.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -63.17 -39.44 94.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.782 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -83.31 -38.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 1.5 mp -66.35 -50.0 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.6 pp0? -48.87 -27.81 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -117.37 73.14 7.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 -0.02 9.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 2.3 tt0 -69.6 -17.73 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 13.3 tttm 85.52 69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.83 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 mttt 179.28 128.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.83 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.3 mm? -127.54 170.37 12.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.59 ' H ' HD13 ' A' ' 29' ' ' ILE . 53.2 p -155.81 99.71 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -40.04 -40.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -66.3 -52.11 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.08 76.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 25' ' ' THR . 1.3 mp -70.87 -52.94 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t -55.83 -36.82 67.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -42.48 65.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.62 -28.86 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mm -80.74 -42.11 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -58.53 -49.93 75.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -39.42 78.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -72.13 -52.11 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 11' ' ' LEU . 54.6 m-85 -119.25 106.66 42.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' GLU . 18.2 Cg_endo -75.02 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -50.4 -40.86 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -43.41 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -15.71 55.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -76.23 -47.9 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.664 ' O ' ' N ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -112.53 31.15 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.4 t80 -20.48 82.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.98 39.91 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 58.6 59.45 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB2' ' A' ' 50' ' ' SER . 5.4 p-90 -95.83 31.38 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' OE1' ' ND2' ' A' ' 49' ' ' ASN . 8.7 tt0 -74.58 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.541 ' ND2' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -71.18 -22.24 62.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -58.68 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.549 ' HB ' HD11 ' A' ' 12' ' ' ILE . 38.9 pt -68.15 -47.01 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 56' ' ' SER . 0.0 OUTLIER -55.05 -33.43 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.514 ' NE2' HD22 ' A' ' 57' ' ' LEU . 11.4 t-80 -68.93 -53.96 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -68.48 -12.12 60.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 16' ' ' ILE . 8.9 tp -83.47 -56.84 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -82.02 -50.25 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -73.69 75.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.927 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 158.64 -47.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -80.74 -44.67 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.9 m 66.21 61.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -118.53 -159.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 78' ' ' THR . 7.4 t -120.04 149.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -137.0 169.7 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.6 tt -118.15 129.77 25.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.96 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -45.28 115.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -89.94 140.64 27.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.03 -18.75 18.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 -58.19 14.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.11 114.8 7.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.4 Cg_endo -75.01 -92.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 17.16 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 71' ' ' PRO . 2.6 mtmp? -140.12 37.73 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.3 105.26 3.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.542 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.3 p-10 -157.6 163.06 38.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -151.79 148.35 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 19.3 m0 -118.1 150.3 39.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.054 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.545 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m -121.11 138.6 54.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.1 tt -117.13 148.0 41.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.75 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -91.03 167.91 14.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.07 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 164.88 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -56.11 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -49.13 76.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.26 -40.07 84.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.9 -51.06 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 9.8 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 50' ' ' SER . 99.1 m-85 -63.52 -45.98 88.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.775 HD11 ' OD1' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -38.81 -47.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.63 -49.79 75.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.5 mm? -59.24 -34.05 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.94 HD12 ' HG ' ' A' ' 55' ' ' LEU . 33.5 mm -69.24 -60.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 9' ' ' ILE . 68.7 p -41.49 -38.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mmm -77.16 -37.03 54.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB1' ' CG1' ' A' ' 29' ' ' ILE . . . -64.91 -30.92 71.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 HD13 HD11 ' A' ' 24' ' ' LEU . 33.0 mm -86.06 -51.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 13' ' ' THR . 3.2 mp -55.6 -48.45 74.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.5 pp0? -48.97 -24.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 p -120.31 72.88 20.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -74.99 -5.36 16.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.4 tt0 -69.29 -94.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 174.72 69.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -178.79 127.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 16' ' ' ILE . 1.8 mm? -124.48 160.63 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.3 m -154.13 113.02 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.0 tm? -55.3 -56.81 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -49.8 -52.13 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.953 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 -37.13 92.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.632 ' CG1' ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -63.74 -59.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 29' ' ' ILE . 53.4 t -45.0 -41.0 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 108.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -44.37 86.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.11 -18.66 64.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.725 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 39.3 mm -79.97 -51.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.5 p -60.4 -50.58 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -45.16 81.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 7.4 mmm180 -66.73 -49.72 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -127.33 118.72 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -51.21 -38.34 51.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.645 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 11.9 m-30 -62.35 -40.69 97.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -9.4 59.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -52.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 44' ' ' PHE . 1.3 ttmp? -78.44 -54.34 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 2.0 t80 26.38 62.94 0.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -75.0 -10.83 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 163.47 55.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CZ3' HG21 ' A' ' 33' ' ' ILE . 5.7 m95 -76.51 -2.11 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.56 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -79.0 -54.95 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.56 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.32 -38.64 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 8' ' ' TYR . 50.9 m -60.2 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.619 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 14.8 mm -53.72 -61.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 12.8 mtm-85 -48.86 -36.11 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' NE2' HD22 ' A' ' 57' ' ' LEU . 1.6 t-80 -65.04 -60.59 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.46 ' CB ' HG13 ' A' ' 12' ' ' ILE . 28.5 m-80 -67.16 -10.06 46.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.94 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -82.95 -57.17 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.78 -49.77 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' NE2' ' A' ' 53' ' ' HIS . 1.9 tt -73.95 76.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.775 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER 162.41 -62.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 27.2 m-20 -66.84 -60.8 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 87.12 55.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.789 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -118.11 -163.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m -116.78 151.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 3.7 mtmm -132.85 167.29 20.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.881 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.1 tt -114.68 121.03 36.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 116.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.33 163.88 16.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.25 3.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.95 46.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 1.4 m-20 -119.6 93.86 47.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.4 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.65 -41.19 2.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -144.14 65.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -133.81 74.99 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.722 ' O ' HG23 ' A' ' 25' ' ' THR . 33.7 p-10 -137.96 -173.35 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.881 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -161.91 151.98 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 21.3 m0 -119.95 175.81 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.994 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 39.1 m -145.58 124.03 12.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 ' HD2' ' A' ' 61' ' ' PHE . 4.5 tt -114.93 153.43 30.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.98 146.54 55.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG3' ' CE ' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 78.37 2.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 179.31 40.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -80.26 -39.1 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.52 -45.09 81.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -42.4 92.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.19 -36.44 75.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.502 ' CZ ' HG22 ' A' ' 13' ' ' THR . 3.8 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CZ ' ' CZ2' ' A' ' 47' ' ' TRP . 4.9 m-30 -45.51 -44.0 12.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.012 ' O ' HG23 ' A' ' 13' ' ' THR . 16.8 pt -45.72 -41.8 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.01 -56.34 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.593 HD13 ' CE2' ' A' ' 37' ' ' PHE . 51.8 mt -55.96 -25.94 45.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -51.38 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 1.012 HG23 ' O ' ' A' ' 9' ' ' ILE . 45.7 p -48.93 -39.5 26.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 8.9 ptm -78.11 -28.76 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . . . -74.2 -29.33 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.764 HD12 ' HG ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.55 -33.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 84' ' ' GLU . 2.2 mp -68.35 -24.07 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -67.07 -23.45 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -118.7 73.07 11.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 -3.92 14.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.42 -0.96 24.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 79' ' ' LEU . 1.2 ttpp 71.48 65.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.4 pttt -172.36 127.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.764 ' HG ' HD12 ' A' ' 16' ' ' ILE . 4.0 mm? -133.81 173.17 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 75' ' ' ASN . 81.6 m -156.85 107.09 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -42.66 -46.49 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 34.0 t -57.67 -52.6 64.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' PHE . . . -64.91 -22.7 68.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.691 HD13 HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -78.18 -45.84 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -60.96 -33.64 73.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -41.1 27.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.6 -34.54 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.835 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.1 mt -83.91 -47.7 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 m -53.33 -44.71 68.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.62 -43.45 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -68.53 -38.32 80.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 11' ' ' LEU . 3.2 m-85 -118.48 104.04 48.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.05 -36.91 2.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -67.07 -40.0 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -65.05 -52.65 54.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.625 ' HA ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.95 -15.32 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -77.01 -49.7 14.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -78.63 -48.72 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.686 ' CE1' ' CB ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 24.28 64.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.538 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -74.94 -12.91 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 173.15 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.851 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 2.1 m95 -70.12 -6.49 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 6.6 tt0 -70.34 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.527 ' HA ' ' CD ' ' A' ' 52' ' ' ARG . 80.2 m-20 -76.69 -25.29 53.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 2.4 m -63.78 -59.44 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.851 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 6.6 tp -63.25 -56.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -48.5 -37.28 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.643 ' NE2' HD22 ' A' ' 57' ' ' LEU . 12.3 t-80 -64.38 -56.61 13.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 50' ' ' SER . 3.1 m-80 -68.76 -10.01 54.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -84.14 -55.48 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 p -77.49 -51.23 11.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.643 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -70.95 75.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER 168.56 -71.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.633 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 5.7 m-20 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.91 56.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.329 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.927 ' HB3' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -115.14 -161.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 ' HB ' ' A' ' 78' ' ' THR . 35.2 m -116.52 159.27 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HE3' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 ptmt -141.8 166.62 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.1 pp -117.22 122.51 31.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.558 ' O ' HD12 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.0 -170.04 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.57 104.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -95.0 165.27 17.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.442 ' CD ' ' HG2' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 56.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.408 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 165.74 47.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 5.9 m120 -136.04 59.94 31.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.98 100.94 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.95 -97.26 0.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.59 54.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.47 147.3 16.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' THR . 14.1 p-10 179.62 -176.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.724 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.4 m-85 -159.49 141.28 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.597 ' CZ3' ' HE3' ' A' ' 63' ' ' LYS . 18.9 m0 -118.06 164.7 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.544 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.8 m -135.81 120.26 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD22 ' H ' ' A' ' 80' ' ' ASP . 1.4 tm? -121.58 140.63 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.936 ' H ' HD22 ' A' ' 79' ' ' LEU . 3.0 t70 -66.34 147.58 98.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.03 86.39 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 164.92 40.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.8 t -80.63 -25.44 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -84.76 -39.81 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.6 -45.84 92.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -11.84 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.902 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.3 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' O ' HD13 ' A' ' 12' ' ' ILE . 14.5 m-85 -81.28 -28.07 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.873 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -45.09 -40.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.04 -52.58 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 37' ' ' PHE . 1.4 mm? -61.22 -29.82 70.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.7 mp -68.66 -55.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' ILE . 69.2 p -47.78 -40.88 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttp -74.3 -30.2 61.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -68.16 -42.22 80.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -74.39 -33.62 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 13' ' ' THR . 3.6 mm? -69.96 -34.51 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -68.87 -19.56 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 21' ' ' GLN . 5.9 p -125.76 67.09 58.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.96 40.59 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 19' ' ' SER . 16.2 tt0 -122.65 -5.82 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER 70.59 59.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttm 179.92 106.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.702 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -145.37 152.96 40.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' ASN . 24.5 m -108.09 114.85 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -43.39 -49.7 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 35.8 t -51.47 -52.76 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.97 -28.74 72.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 mp -67.94 -56.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.8 t -50.52 -40.92 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.74 -36.85 83.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -72.74 -20.03 61.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 32' ' ' PHE . 19.1 mm -80.76 -40.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -61.42 -54.96 36.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.92 -40.46 57.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.76 -51.13 17.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 41.6 m-85 -122.72 112.45 30.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -53.3 -40.73 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.4 m-30 -63.45 -40.49 97.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -16.13 56.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.11 -50.77 18.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 44' ' ' PHE . 6.8 tttp -80.11 -50.68 9.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.648 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER 25.2 66.24 0.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.74 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.0 -12.54 21.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.553 1.817 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 159.47 62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.5 m95 -83.05 14.8 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -80.65 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 50' ' ' SER . 16.5 p30 -77.93 -28.08 49.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 46' ' ' ALA . 70.3 m -57.88 -57.99 10.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 47' ' ' TRP . 1.7 mp -68.75 -45.57 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 4.8 mtt180 -53.14 -38.91 63.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -67.99 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.494 ' CG ' HG22 ' A' ' 9' ' ' ILE . 1.2 m-20 -57.7 -14.29 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -79.98 -51.31 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 9.0 t -80.06 -51.65 8.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 3.9 mm? -72.44 76.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 16.2 m-20 170.73 -59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 62.0 m-20 -76.05 -48.77 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.35 67.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -129.75 -166.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 ' HB ' ' A' ' 78' ' ' THR . 34.6 m -118.62 153.39 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -135.0 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.2 tt -121.41 128.6 25.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB2' ' NH1' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -38.13 111.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 9.0 tp10 -88.54 137.89 30.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 81.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.44 -61.52 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 13.9 p-10 -117.06 97.34 50.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.1 Cg_endo -75.07 -93.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 15.04 -90.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' PRO . 6.9 mtmt -139.92 34.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.47 122.51 6.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.162 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 25' ' ' THR . 15.5 p-10 -163.02 179.01 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 1.049 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -154.86 140.6 18.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 63' ' ' LYS . 14.2 m0 -118.69 139.91 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.488 ' HB ' HG23 ' A' ' 62' ' ' VAL . 89.0 m -117.37 135.76 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.4 tt -116.29 160.57 20.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.677 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.1 m-20 -68.97 151.5 97.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -74.96 78.74 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.8 mt-30 167.44 46.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.538 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.9 t -77.49 -47.19 20.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.58 -32.26 72.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.32 -55.37 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 83' ' ' SER . 12.7 ptm -63.03 -12.9 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CE1' ' HB ' ' A' ' 13' ' ' THR . 2.5 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 2' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mttt 69.8 140.4 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 168.9 23.81 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.29 29.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.98 165.9 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.452 ' HB3' ' OP2' ' B' ' 256' ' ' ' DA' . 88.0 p -68.74 119.52 13.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' OH ' ' CZ2' ' A' ' 47' ' ' TRP . 4.1 m-30 -81.3 -32.04 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.36 -37.77 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.26 42.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.56 -33.18 69.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.4 mp -67.37 -59.33 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 9' ' ' ILE . 81.6 p -45.62 -38.91 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 29.6 ttp -75.65 -32.92 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.826 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -67.14 -32.54 73.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.061 HG12 HD13 ' A' ' 79' ' ' LEU . 6.5 tp -84.38 -43.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD11 ' CD2' ' A' ' 87' ' ' PHE . 67.2 mt -63.61 -45.22 91.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -52.95 -18.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.54 ' OG ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -115.77 78.62 7.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -3.43 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt 67.34 64.97 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 179.1 152.13 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 16' ' ' ILE . 12.1 tp -164.74 159.89 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -136.05 125.24 24.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -47.2 -49.56 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.538 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 m -62.31 -46.96 86.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.35 72.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -66.7 -45.33 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.3 t -55.37 -33.97 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.33 -42.92 29.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.84 -29.22 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 16.7 mm -81.29 -56.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 22.1 p -55.25 -33.16 62.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.38 -32.78 68.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -80.11 -50.82 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CB ' ' CD2' ' A' ' 40' ' ' TYR . 62.3 m-85 -113.51 118.4 43.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -52.21 -37.37 54.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 13.1 m-30 -66.7 -36.85 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 4.1 ttp180 -80.06 -13.94 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -81.7 -55.61 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -75.56 -53.01 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 1.4 t80 36.07 61.74 2.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 43.82 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 91.43 66.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.863 ' CE3' HD11 ' A' ' 51' ' ' ILE . 7.9 m95 -82.06 -0.05 42.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.573 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -68.88 -60.85 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.573 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -75.58 -34.37 60.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -54.67 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.863 HD11 ' CE3' ' A' ' 47' ' ' TRP . 26.6 mm -65.58 -58.69 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.539 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 10.9 mtt180 -49.85 -33.18 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.697 ' CD2' ' H71' ' B' ' 257' ' ' ' DT' . 43.7 t60 -68.82 -57.42 5.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 14.1 m-80 -69.48 -12.65 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -83.57 -54.34 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -80.61 -50.67 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -68.44 80.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.28 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -66.21 -46.54 76.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 15.0 m 68.46 64.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -115.86 -163.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' THR . 47.4 t -117.38 137.33 51.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -122.58 169.37 11.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -118.38 121.94 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -41.05 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -106.72 169.08 7.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.67 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.74 43.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -134.82 64.32 62.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.02 79.63 2.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.11 -80.14 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 54.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ASN . . . -116.92 77.41 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.46 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 9.3 p-10 -111.81 -174.54 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CB ' HG12 ' A' ' 64' ' ' ILE . 1.8 m-85 -145.94 136.01 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 8.5 m0 -125.73 129.63 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' VAL . 23.8 m -119.82 130.49 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.061 HD13 HG12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.04 145.14 45.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.32 170.4 10.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 66.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 79' ' ' LEU . 9.9 t -54.93 -54.27 44.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.26 -17.09 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.92 -51.49 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 3.5 ptt? -66.85 -16.3 64.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -89.67 -53.78 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -42.66 54.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -51.7 -54.91 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.6 -152.26 1.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.0 p -149.45 45.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 65.99 52.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.62 112.21 22.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -101.79 62.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' CZ ' ' NH2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 169.58 -60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 59.56 62.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 37.36 64.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' NH2' " O4'" ' B' ' 255' ' ' ' DA' . 5.3 ttt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.58 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.149 -27.016 3 C5'-C4'-O4' 92.75 -10.406 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.58 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.369 4 O4'-C4'-C3' 95.961 -9.639 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.571 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.594 13.497 3 C5'-C4'-O4' 155.217 28.636 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.646 4 C5'-C4'-O4' 144.306 21.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.54 8.585 3 C5'-C4'-O4' 152.65 27.032 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.498 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.081 -33.148 3 C5'-C4'-O4' 138.357 18.098 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.667 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.166 -25.437 3 C5'-C4'-O4' 141.626 20.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.276 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.63 16.765 3 C5'-C4'-O4' 157.043 29.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.697 ' H71' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.372 -6.692 4 C5'-C4'-O4' 144.729 22.08 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.764 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.472 2.408 3 C5'-C4'-O4' 124.021 9.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.451 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.542 8.697 3 C5'-C4'-O4' 136.211 16.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.323 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.698 22.869 3 C5'-C4'-O4' 156.788 29.617 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 0.474 ' C2 ' ' C2 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.498 3 C5'-C4'-O4' 140.648 19.53 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.449 " C2'" ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.526 7.271 4 C5'-C4'-O4' 146.879 23.424 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.205 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.759 28.474 3 C5'-C4'-O4' 153.225 27.391 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.22 4 C5'-C4'-O4' 148.686 24.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.567 10.965 3 C5'-C4'-O4' 139.95 19.094 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.461 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.39 -5.11 4 O4'-C4'-C3' 97.22 -8.38 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.429 3 O4'-C4'-C3' 94.383 -11.217 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.566 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 134.397 15.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.566 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.475 4 C5'-C4'-O4' 124.921 9.701 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.46 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.572 11.467 3 C5'-C4'-O4' 154.2 28.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.498 ' N7 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.605 14.489 3 O4'-C4'-C3' 93.362 -12.238 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.466 ' H71' H2'' ' C' ' 354' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.485 3.577 3 C5'-C4'-O4' 135.116 16.072 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.444 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.494 4.407 4 C5'-C4'-O4' 144.209 21.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.343 3 C5'-C4'-O4' 129.079 12.3 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.614 ' H72' " H2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.405 -3.739 4 C5'-C4'-O4' 151.384 26.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.312 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.7 23.123 3 C5'-C4'-O4' 159.229 31.143 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.641 ' H71' " C2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.464 1.641 4 O4'-C4'-C3' 96.693 -8.907 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.477 2.846 4 C5'-C4'-O4' 145.383 22.49 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.309 -12.442 3 C5'-C4'-O4' 139.242 18.651 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.593 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.413 3 O4'-C4'-C3' 100.722 -4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.593 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.235 3 O4'-C4'-C3' 93.865 -11.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.249 -17.91 3 C5'-C4'-O4' 95.507 -8.683 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.843 HG11 ' CE1' ' A' ' 39' ' ' TYR . 62.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.617 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 1.9 mptt -108.73 -65.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.04 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.01 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 13.5 p90 -68.66 155.58 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p -114.75 -100.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 18.6 m-85 -81.25 -41.24 22.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.605 HG23 ' OP2' ' B' ' 256' ' ' ' DA' . 2.6 pp -41.64 -32.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 6' ' ' TYR . . . -78.9 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 37' ' ' PHE . 53.3 mt -49.04 -34.01 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 51' ' ' ILE . 21.1 mm -74.53 -50.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.617 HG22 HD22 ' A' ' 17' ' ' LEU . 50.2 m -45.13 -39.11 5.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -40.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -54.68 -38.25 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 79' ' ' LEU . 38.4 mm -81.78 -53.95 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -50.37 -43.0 54.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.09 -24.19 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 13.4 p -123.32 74.66 51.48 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.82 19.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -70.11 -94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 4.7 tttp 178.79 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -176.43 143.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.824 HD22 ' O ' ' A' ' 23' ' ' LYS . 2.7 mm? -142.3 159.01 43.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 p -144.34 94.96 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.1 tm? -44.71 -47.88 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 89.7 p -61.09 -56.57 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.79 -45.52 94.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.484 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mp -57.5 -42.93 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.15 -46.87 82.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -31.88 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -69.63 -29.58 67.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.422 HG23 ' HD1' ' A' ' 37' ' ' PHE . 4.3 mt -77.51 -55.16 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -50.9 -38.3 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.43 -49.61 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -64.68 -55.24 21.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -114.95 91.67 27.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.843 ' CE1' HG11 ' A' ' 2' ' ' VAL . 14.9 p90 -52.47 -38.17 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.9 t80 -59.21 -37.4 77.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -32.78 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -10.58 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -109.68 1.09 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 1.1 t80 -176.95 68.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 80.78 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . 171.5 59.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -110.91 40.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.622 ' OE1' ' ND2' ' A' ' 49' ' ' ASN . 13.4 tt0 -78.94 -61.02 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.622 ' ND2' ' OE1' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.04 -37.0 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.626 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -53.88 -53.19 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG23 HD11 ' A' ' 12' ' ' ILE . 9.2 mm -68.52 -47.75 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' NH1' ' N7 ' ' C' ' 354' ' ' ' DG' . 27.5 mtt180 -55.75 -25.13 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.687 ' CE1' HD22 ' A' ' 57' ' ' LEU . 51.0 t60 -78.64 -53.76 6.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.456 HD21 HG23 ' A' ' 9' ' ' ILE . 4.2 m120 -71.31 -13.08 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -82.66 -56.45 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.629 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -80.24 -49.07 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -78.38 73.43 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.37 -41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 1.1 m-20 -76.51 -44.65 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.5 m 69.29 54.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.31 -152.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 78' ' ' THR . 27.3 m -130.86 164.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CE ' " H3'" ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -141.38 171.12 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -119.53 122.19 29.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.1 Cg_endo -75.03 -169.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' " H5'" ' B' ' 265' ' ' ' DC' . 0.8 OUTLIER -61.13 73.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -81.51 -59.03 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.99 53.1 4.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -71.69 155.83 91.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.01 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.38 -111.27 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HA ' " O3'" ' C' ' 352' ' ' ' DT' . 0.3 OUTLIER -142.76 58.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.27 87.1 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 16.9 p-10 -127.61 171.26 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 1.014 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -149.21 141.16 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 17.4 m0 -119.26 149.94 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' HG23 ' A' ' 62' ' ' VAL . 22.5 m -119.3 126.98 52.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.8 tt -117.23 149.84 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.841 ' O ' HD23 ' A' ' 79' ' ' LEU . 12.0 t70 -72.86 145.0 86.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.02 82.97 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 168.39 40.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -72.53 -38.07 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.97 -36.47 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.32 -58.16 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 4.0 ptt? -59.92 -15.01 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -82.76 -46.22 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -114.42 37.6 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.55 -171.78 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.85 70.37 3.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.94 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 65.99 58.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.78 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.524 ' NH2' ' NH1' ' A' ' 98' ' ' ARG . 23.6 tpt180 -179.09 143.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.547 ' NH1' ' CZ ' ' A' ' 98' ' ' ARG . 2.4 mtt85 -54.65 -55.76 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 79.29 -59.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -43.23 -44.86 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' CZ ' ' NH1' ' A' ' 95' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.474 2.519 4 O4'-C4'-C3' 95.182 -10.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.552 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.465 1.724 4 C5'-C4'-O4' 95.644 -8.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.552 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.607 14.654 3 C5'-C4'-O4' 151.794 26.496 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.59 13.06 3 C5'-C4'-O4' 154.301 28.063 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.577 11.908 3 C5'-C4'-O4' 155.749 28.968 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.571 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.068 -34.332 3 C5'-C4'-O4' 133.288 14.93 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.269 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.682 21.458 3 C5'-C4'-O4' 150.863 25.914 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.228 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.748 27.415 3 C5'-C4'-O4' 144.338 21.836 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.76 ' H72' ' C8 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.6 13.959 3 C5'-C4'-O4' 155.611 28.882 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.488 ' N7 ' ' HB2' ' A' ' 49' ' ' ASN . . . . . . . . 0 C3'--C2' 1.504 -1.412 4 C5'-C4'-O4' 148.545 24.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.452 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.517 6.462 3 C5'-C4'-O4' 129.273 12.421 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.213 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.763 28.851 3 C5'-C4'-O4' 155.202 28.626 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.607 14.606 3 C5'-C4'-O4' 141.277 19.923 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.591 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.515 6.287 4 C5'-C4'-O4' 144.017 21.636 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.268 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.775 29.896 3 C5'-C4'-O4' 153.95 27.844 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.418 4 C5'-C4'-O4' 151.532 26.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.427 " H5'" ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.584 4 C5'-C4'-O4' 123.868 9.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.493 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.377 -6.247 4 O4'-C4'-C3' 98.726 -6.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.493 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.531 7.736 4 O4'-C4'-C3' 95.423 -10.177 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.606 " C2'" ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.543 8.849 3 C5'-C4'-O4' 153.569 27.606 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.751 " H2'" ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.088 -32.554 3 C5'-C4'-O4' 127.198 11.124 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.751 ' H72' " H2'" ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.845 3 C5'-C4'-O4' 151.771 26.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.543 ' C8 ' ' H72' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.549 9.337 4 C5'-C4'-O4' 130.423 13.14 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.543 ' H72' ' C8 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.477 2.83 4 C5'-C4'-O4' 133.753 15.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.445 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.4 -4.197 4 C5'-C4'-O4' 141.102 19.814 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.614 ' C8 ' ' H72' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.58 12.173 3 C5'-C4'-O4' 143.609 21.38 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.614 ' H72' ' C8 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.108 4 C5'-C4'-O4' 151.621 26.388 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.744 " C4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.406 -3.596 2 C5'-C4'-O4' 99.714 -6.054 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.744 ' OP1' " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.407 -3.522 4 C5'-C4'-O4' 83.453 -16.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.564 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.504 5.296 3 C5'-C4'-O4' 137.691 17.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.525 7.201 4 C5'-C4'-O4' 150.716 25.822 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.589 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.393 -4.848 2 C1'-O4'-C4' 116.024 4.517 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.589 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.158 3 O4'-C4'-C3' 93.763 -11.837 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.22 -20.566 3 C5'-C4'-O4' 96.789 -7.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 39' ' ' TYR . 34.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.647 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -139.48 -66.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.828 ' HB3' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 106.69 2.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.01 -31.39 6.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -81.46 -160.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.451 ' CB ' " H3'" ' B' ' 256' ' ' ' DA' . 37.7 m -105.54 -158.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.961 ' HB3' HD12 ' A' ' 51' ' ' ILE . 31.3 m-85 -69.17 -31.67 70.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 tt -51.06 -52.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.1 -50.28 73.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 4' ' ' PRO . 59.3 mt -54.21 -28.52 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.95 HD12 HD13 ' A' ' 55' ' ' LEU . 5.6 mm -78.01 -59.21 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.816 ' O ' HD23 ' A' ' 17' ' ' LEU . 29.4 p -39.7 -36.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.3 ttp -80.96 -45.78 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -56.26 -33.66 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 55' ' ' LEU . 39.6 mm -77.77 -51.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 13' ' ' THR . 4.1 mm? -57.13 -40.06 76.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -47.4 -28.32 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 3.8 p -119.08 77.57 16.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.78 14.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -71.42 -91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.25 73.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.976 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -177.84 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -149.37 175.25 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 179.59 110.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.5 tm? -50.38 -50.79 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -49.82 -49.51 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.1 85.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mp -59.87 -63.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.0 t -48.85 -41.24 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -36.66 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.7 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.89 -19.34 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 5.8 mm -74.21 -40.43 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -71.21 -45.69 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -51.05 -42.17 60.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -75.63 -45.82 35.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.726 ' HE2' HD22 ' A' ' 11' ' ' LEU . 12.5 m-85 -125.84 106.44 25.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.671 ' HB3' HG21 ' A' ' 2' ' ' VAL . 7.0 t80 -50.77 -37.49 42.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -40.43 96.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -80.36 -18.66 48.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -50.71 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -78.29 -49.48 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 10.9 t80 43.15 73.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.01 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 68.5 59.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.4 p-90 -97.15 28.09 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -71.69 -69.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' CG ' ' H62' ' B' ' 259' ' ' ' DA' . 23.3 p30 -71.07 -22.78 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' OG ' ' CE2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -62.46 -54.95 32.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 8' ' ' TYR . 3.6 tp -66.92 -43.07 89.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 16.2 mtt180 -61.27 -32.26 72.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.545 ' CD2' ' O4 ' ' B' ' 257' ' ' ' DT' . 1.1 t-80 -68.05 -59.55 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.67 -13.11 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 12' ' ' ILE . 10.3 tp -82.57 -52.34 6.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.597 ' OG ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.48 -55.0 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.051 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.597 HD22 ' OG ' ' A' ' 56' ' ' SER . 4.3 mm? -72.31 82.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 165.42 -54.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.4 m-20 -81.56 -46.73 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.4 t 76.28 62.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.332 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -119.22 -162.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 13.6 t -119.71 149.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.671 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -134.17 168.41 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.959 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.8 tt -118.4 120.28 32.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.517 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -74.99 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 65' ' ' PRO . 4.7 mtm-85 -33.58 116.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -105.88 120.69 48.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.21 2.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.29 -36.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -123.95 91.68 49.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 150.35 -96.68 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.52 55.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.42 100.57 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.664 HD22 ' HD1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -142.9 170.94 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.959 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.6 151.47 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.671 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 20.5 m0 -121.03 148.0 44.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 41.4 m -117.68 141.5 48.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.84 144.28 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.7 160.97 62.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 179.44 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 p -80.01 -55.63 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -16.6 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.65 -49.81 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -71.45 -17.73 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -88.53 -36.32 16.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.05 -29.74 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -56.06 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.36 -53.46 4.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER 69.64 59.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.02 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.09 39.24 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 91' ' ' SER . 0.3 OUTLIER -131.47 90.87 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.476 ' NH1' ' OP1' ' B' ' 256' ' ' ' DA' . 0.1 OUTLIER -84.65 43.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' NH1' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -144.86 -71.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 6.6 ttp180 78.73 -71.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -169.4 124.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NH2' ' N3 ' ' B' ' 254' ' ' ' DA' . 3.6 mtp180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.495 4.463 3 O4'-C4'-C3' 94.249 -11.351 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.658 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.456 4 C5'-C4'-O4' 96.883 -7.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 1.354 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.649 18.496 3 C5'-C4'-O4' 156.631 29.52 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.559 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.416 4 C5'-C4'-O4' 141.697 20.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 12.038 3 C5'-C4'-O4' 152.298 26.811 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.521 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.076 -33.653 3 C5'-C4'-O4' 136.218 16.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.857 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.143 -27.566 3 C5'-C4'-O4' 141.054 19.784 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.296 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.704 23.474 3 C5'-C4'-O4' 158.299 30.562 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.597 ' H72' ' C8 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.474 2.543 4 C5'-C4'-O4' 146.024 22.89 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.608 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.52 6.718 4 C5'-C4'-O4' 150.869 25.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 1.259 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.64 17.639 3 C5'-C4'-O4' 152.042 26.651 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.129 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.867 38.276 3 C5'-C4'-O4' 157.992 30.37 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.318 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.667 20.071 3 C5'-C4'-O4' 151.583 26.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.597 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.55 9.435 4 C5'-C4'-O4' 152.158 26.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.597 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.622 15.993 3 C5'-C4'-O4' 149.922 25.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.493 4.269 4 C5'-C4'-O4' 129.451 12.532 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.521 6.815 4 C5'-C4'-O4' 144.985 22.24 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.461 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.374 -6.53 4 O4'-C4'-C3' 98.342 -7.258 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.573 11.558 3 O4'-C4'-C3' 94.561 -11.039 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.587 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.474 4 C5'-C4'-O4' 136.96 17.225 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.587 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.402 -4.025 3 C1'-O4'-C4' 115.852 4.394 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.517 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.627 16.428 3 C5'-C4'-O4' 155.681 28.926 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.584 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.537 8.288 4 C5'-C4'-O4' 141.454 20.034 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.575 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.571 11.377 3 C5'-C4'-O4' 151.82 26.512 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.489 ' C2 ' ' N7 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.328 -10.691 4 C5'-C4'-O4' 145.588 22.618 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.608 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.179 -24.305 3 C5'-C4'-O4' 88.203 -13.248 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.608 ' H72' " H2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.111 3 C5'-C4'-O4' 154.535 28.21 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.139 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.81 33.069 3 O4'-C4'-C3' 79.744 -25.856 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.444 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.463 4 C5'-C4'-O4' 91.741 -11.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.414 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.601 14.097 3 C5'-C4'-O4' 151.474 26.296 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.419 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.354 -8.354 4 C5'-C4'-O4' 139.348 18.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.579 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.674 2 O4'-C1'-N19 111.162 4.202 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.579 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.624 16.144 3 O4'-C4'-C3' 92.863 -12.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.209 -21.535 3 C5'-C4'-O4' 95.876 -8.453 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.87 HG21 ' HG3' ' A' ' 43' ' ' LYS . 42.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.91 95.93 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.93 113.85 3.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 18.4 Cg_endo -75.0 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -141.16 -173.11 3.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.465 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 41.0 t -94.19 -163.97 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.7 m-85 -75.02 -29.66 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 13' ' ' THR . 13.3 tt -40.6 -29.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -74.79 -51.87 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 33' ' ' ILE . 11.1 mp -58.91 -29.06 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 8' ' ' TYR . 3.2 mp -77.47 -56.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 9' ' ' ILE . 3.2 p -44.13 -35.68 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.1 ttp -80.4 -42.23 23.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -58.53 -35.91 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.664 HG13 HD11 ' A' ' 24' ' ' LEU . 1.5 mp -79.01 -49.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 13' ' ' THR . 2.1 mm? -55.9 -31.8 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.81 -17.59 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 p -127.55 68.16 73.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.04 -4.31 15.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.45 -89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 173.32 64.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.12 146.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 16' ' ' ILE . 10.5 mt -144.38 169.27 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' C ' ' A' ' 24' ' ' LEU . 36.6 p -156.09 100.24 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.1 tp -45.37 -41.49 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -54.49 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -28.0 72.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.38 -44.11 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.6 t -62.32 -37.24 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.87 -37.2 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.25 -34.24 77.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.657 ' CG2' HD23 ' A' ' 11' ' ' LEU . 1.6 mt -81.69 -53.92 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -46.28 -43.38 15.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -48.57 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -58.64 -39.92 81.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -129.97 93.97 32.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -20.88 16.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.757 ' CE1' HG22 ' A' ' 2' ' ' VAL . 2.0 t80 -80.77 -28.87 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HH ' ' HE1' ' A' ' 8' ' ' TYR . 2.2 t80 -65.32 -62.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -52.45 -32.22 38.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.74 -22.93 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.87 ' HG3' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -100.19 19.24 16.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -154.22 94.14 2.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.1 Cg_endo -75.07 18.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 175.27 82.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 44.6 p-90 -125.92 31.41 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -81.58 -48.3 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.535 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 77.7 m-20 -72.58 -39.94 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 3.3 m -47.7 -57.46 5.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -65.93 -42.75 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.903 ' NE ' ' H72' ' C' ' 355' ' ' ' DT' . 0.6 OUTLIER -54.99 -31.6 61.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.625 ' CE1' ' N7 ' ' B' ' 256' ' ' ' DA' . 9.0 t-80 -73.6 -56.67 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.682 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.5 -14.51 63.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 2.2 tp -84.86 -58.37 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.565 ' CB ' ' NH1' ' A' ' 52' ' ' ARG . 15.9 p -77.36 -51.16 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -80.92 83.6 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.17 -64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.588 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -67.9 -49.34 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 80.57 63.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -126.39 -164.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' HB ' ' A' ' 78' ' ' THR . 4.4 m -120.11 157.91 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' OP1' ' C' ' 354' ' ' ' DG' . 0.5 OUTLIER -140.27 173.68 11.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.1 tt -116.4 121.66 33.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 18.5 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CG ' ' O2 ' ' C' ' 352' ' ' ' DT' . 0.1 OUTLIER -51.17 110.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.22 159.95 30.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.438 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.4 Cg_endo -74.91 74.97 3.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.44 44.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 1.6 m120 -119.42 78.5 19.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.03 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 104.98 -57.93 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 9.5 mttt -142.51 60.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -120.47 71.79 0.35 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.535 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 13.0 p30 -135.36 175.42 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.692 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -151.25 154.15 36.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.599 ' CZ2' ' OP2' ' C' ' 354' ' ' ' DG' . 16.6 m0 -119.79 173.56 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HG23 ' A' ' 62' ' ' VAL . 43.2 m -142.5 138.67 31.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -116.71 167.43 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.8 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -103.65 159.05 30.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.0 92.06 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.6 mt-30 165.39 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -81.63 -55.19 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.68 -28.4 55.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.04 -45.23 82.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mtm -54.75 -37.14 65.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 13' ' ' THR . 4.4 m-85 -84.04 -52.28 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.89 -39.27 53.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -46.16 -55.18 7.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.11 -106.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.87 39.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.95 36.1 10.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.79 174.2 2.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 169.25 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.425 ' NH2' " H5'" ' C' ' 363' ' ' ' DA' . 6.9 ttt85 74.12 62.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.79 42.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.511 ' CZ ' " H5'" ' B' ' 255' ' ' ' DA' . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.577 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.622 15.982 3 C5'-C4'-O4' 84.217 -15.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.651 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.475 2.611 4 C5'-C4'-O4' 97.118 -7.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.651 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.599 13.942 3 C5'-C4'-O4' 154.262 28.039 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.515 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 139.983 19.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.503 5.142 4 C5'-C4'-O4' 151.787 26.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.527 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.074 -33.828 3 C5'-C4'-O4' 135.333 16.208 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.767 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.102 -31.261 3 C5'-C4'-O4' 139.598 18.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.313 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.635 17.141 3 C5'-C4'-O4' 155.95 29.094 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.552 ' H71' ' HE2' ' A' ' 8' ' ' TYR . . . . . . . . 0 O4'--C4' 1.418 -2.565 4 C5'-C4'-O4' 150.594 25.746 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.675 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.209 -21.502 3 C1'-O4'-C4' 119.949 7.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.604 " H4'" ' OP1' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.214 -21.094 2 C5'-C4'-O4' 85.209 -15.12 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 0.604 ' OP1' " H4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.656 3 C5'-C4'-O4' 154.654 28.284 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.568 11.072 3 C5'-C4'-O4' 143.001 21.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.571 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.891 4 C5'-C4'-O4' 152.817 27.136 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.571 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.56 10.407 3 C5'-C4'-O4' 149.424 25.015 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.428 4 C5'-C4'-O4' 131.946 14.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.438 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.537 8.312 4 C5'-C4'-O4' 144.597 21.998 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.454 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.395 -4.655 4 O4'-C4'-C3' 97.032 -8.568 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.454 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.592 13.252 3 O4'-C4'-C3' 94.026 -11.574 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.651 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.511 5.942 3 C5'-C4'-O4' 132.575 14.485 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.651 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.519 6.651 3 C5'-C4'-O4' 132.676 14.548 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.453 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.527 7.348 4 C5'-C4'-O4' 153.502 27.564 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.599 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.556 10.014 3 C5'-C4'-O4' 131.967 14.105 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.903 ' H72' ' NE ' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.562 10.569 3 C5'-C4'-O4' 133.834 15.271 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.504 ' H72' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.55 9.49 3 C5'-C4'-O4' 136.581 16.988 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.675 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.601 14.093 3 C5'-C4'-O4' 149.427 25.017 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.501 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.588 12.888 3 C5'-C4'-O4' 154.107 27.942 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.181 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.567 3 C5'-C4'-O4' 155.832 29.02 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.459 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.398 -4.349 4 C5'-C4'-O4' 90.267 -11.958 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.409 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.552 9.675 3 C5'-C4'-O4' 144.02 21.637 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 4 C5'-C4'-O4' 148.877 24.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.398 -4.373 2 C1'-O4'-C4' 115.891 4.422 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.322 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.657 19.177 3 O4'-C4'-C3' 91.89 -13.71 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.243 -18.409 3 C5'-C4'-O4' 95.376 -8.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.763 HG11 ' CD1' ' A' ' 39' ' ' TYR . 28.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -82.22 -64.36 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -74.99 141.09 26.25 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.02 20.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.632 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -89.59 155.01 19.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 9' ' ' ILE . 79.0 p -94.92 -163.14 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.704 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 9.6 t80 -83.77 -31.82 25.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.2 tp -40.69 -28.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -73.17 -53.79 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.766 ' HB3' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -54.3 -41.81 69.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 55' ' ' LEU . 15.9 mm -67.91 -48.63 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 87' ' ' PHE . 1.9 m -41.13 -45.91 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 13.7 ttp -79.69 -33.31 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.639 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -58.85 -35.16 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 24' ' ' LEU . 8.5 mm -81.95 -50.02 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.32 -48.62 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.2 pp0? -43.65 -31.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.762 ' OG ' HD22 ' A' ' 24' ' ' LEU . 2.4 p -116.71 76.91 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 37.91 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -118.32 -11.03 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 64.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.79 111.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -155.99 168.79 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -120.38 131.37 54.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -52.54 -41.17 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -59.3 -57.62 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.2 -41.19 78.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.508 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -61.32 -56.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.461 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.7 t -46.61 -38.4 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.316 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.81 -21.8 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 11' ' ' LEU . 29.7 mm -80.94 -54.74 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 19.8 m -55.88 -46.14 78.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.09 -40.32 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -76.63 -50.28 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 11' ' ' LEU . 3.0 m-85 -122.1 107.73 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.763 ' CD1' HG11 ' A' ' 2' ' ' VAL . 2.9 t80 -45.72 -41.02 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.6 m-30 -68.13 -37.55 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.34 -17.89 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.7 mttm -70.9 -56.94 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 3.6 t80 27.86 62.19 0.65 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -21.24 16.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.783 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.61 ' HB1' ' OD1' ' A' ' 49' ' ' ASN . . . -179.51 54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.704 ' CZ3' ' CD1' ' A' ' 8' ' ' TYR . 3.2 m95 -72.15 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' TRP . 1.4 tt0 -36.42 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.61 ' OD1' ' HB1' ' A' ' 46' ' ' ALA . 3.4 m120 -78.68 -56.27 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.526 ' HA ' ' C7 ' ' B' ' 257' ' ' ' DT' . 1.1 t -65.07 -30.25 71.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 20.9 mt -68.21 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.494 ' CZ ' " C2'" ' C' ' 353' ' ' ' DT' . 6.3 mtt-85 -62.22 -16.13 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.634 ' CE1' ' N6 ' ' C' ' 357' ' ' ' DA' . 46.7 t60 -80.86 -54.48 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 50' ' ' SER . 30.6 m120 -70.61 -24.34 62.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -81.65 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.9 p -70.87 -50.53 34.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -81.83 86.82 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.2 m120 154.28 -58.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.599 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 4.4 m-20 -68.26 -67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.599 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 96.59 56.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.855 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -117.81 -167.09 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 m -119.43 140.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' OP1' ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -130.92 171.07 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 76' ' ' TYR . 6.9 tt -118.09 129.95 25.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.86 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -80.56 166.71 37.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.2 Cg_endo -75.04 55.22 3.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.13 53.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' HB3' " H4'" ' C' ' 352' ' ' ' DT' . 0.5 OUTLIER -115.1 87.11 14.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.1 Cg_endo -75.04 52.46 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.753 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 101.94 -52.53 0.85 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -145.02 68.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -132.13 76.8 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 6.7 p30 -122.74 179.44 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.812 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -143.11 141.08 31.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.6 m0 -125.82 151.66 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 55.3 m -139.3 125.03 19.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.855 HD12 ' HD2' ' A' ' 61' ' ' PHE . 1.5 tt -114.85 153.56 30.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -73.01 149.85 89.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -177.64 35.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HB2' HD21 ' A' ' 79' ' ' LEU . 7.6 t -72.24 -54.47 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 -25.03 58.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -71.06 -49.36 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 87' ' ' PHE . 2.1 ptt? -72.78 -21.35 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' ' HE3' ' A' ' 86' ' ' MET . 0.3 OUTLIER -108.14 33.53 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 t0 179.64 56.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -79.88 -56.35 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.88 -77.54 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.44 -59.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -176.83 57.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.603 HD13 ' H ' ' A' ' 94' ' ' ARG . 0.1 OUTLIER -130.89 146.33 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.603 ' H ' HD13 ' A' ' 93' ' ' LEU . 62.6 ttp85 -136.8 57.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH1' ' NH2' ' A' ' 98' ' ' ARG . 1.1 ttt85 170.76 -70.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 179.17 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.73 69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.602 ' NH2' ' NH1' ' A' ' 95' ' ' ARG . 6.7 ttm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.591 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.159 -26.106 3 C5'-C4'-O4' 90.354 -11.904 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.591 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.468 2.0 4 O4'-C4'-C3' 96.057 -9.543 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.586 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.564 10.715 3 C5'-C4'-O4' 151.163 26.102 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.5 4.886 3 C5'-C4'-O4' 133.458 15.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.551 9.584 4 C5'-C4'-O4' 147.794 23.996 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.523 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.075 -33.682 3 C5'-C4'-O4' 136.175 16.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.674 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.117 -29.881 3 C5'-C4'-O4' 140.195 19.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.296 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.68 21.296 3 C5'-C4'-O4' 158.835 30.897 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.627 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.484 3.418 4 C5'-C4'-O4' 147.962 24.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.588 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.472 2.322 4 C5'-C4'-O4' 150.625 25.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.562 10.505 3 C5'-C4'-O4' 142.023 20.39 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.231 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.781 30.416 3 C5'-C4'-O4' 155.731 28.957 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.618 15.664 3 C5'-C4'-O4' 143.189 21.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.503 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.566 10.9 3 C5'-C4'-O4' 143.912 21.57 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.245 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.738 26.508 3 C5'-C4'-O4' 159.503 31.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.413 4 C5'-C4'-O4' 151.388 26.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.411 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 0 O4'--C4' 1.489 3.954 4 C5'-C4'-O4' 140.793 19.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.46 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.403 -3.883 4 O4'-C4'-C3' 96.452 -9.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.573 11.533 3 O4'-C4'-C3' 95.053 -10.547 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.459 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.402 3 C5'-C4'-O4' 126.778 10.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.502 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.524 7.08 3 C5'-C4'-O4' 136.938 17.211 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.502 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.51 5.823 4 C5'-C4'-O4' 153.063 27.289 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.441 H2'' ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.602 14.221 3 O4'-C4'-C3' 93.049 -12.551 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.65 ' C6 ' ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.912 3 C5'-C4'-O4' 141.342 19.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.65 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.493 4.254 4 C5'-C4'-O4' 144.486 21.929 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.634 ' N6 ' ' CE1' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.385 4 C5'-C4'-O4' 148.851 24.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.662 " C4'" ' OP1' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.321 -11.353 2 O4'-C1'-N19 111.184 4.23 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.929 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 2.002 50.533 3 O4'-C4'-C3' 73.902 -31.698 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.534 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.373 -6.626 4 C5'-C4'-O4' 88.56 -13.025 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.498 4.72 4 C5'-C4'-O4' 146.759 23.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.315 -11.881 3 C5'-C4'-O4' 135.859 16.537 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.583 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.381 2 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.583 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.181 3 O4'-C4'-C3' 93.792 -11.808 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.254 -17.467 3 C5'-C4'-O4' 95.423 -8.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 3' ' ' LYS . 15.9 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -125.93 74.0 70.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.02 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 6' ' ' TYR . 18.2 Cg_endo -75.04 -51.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.01 170.06 16.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.492 ' OG ' " C2'" ' B' ' 256' ' ' ' DA' . 3.8 t -74.32 -159.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.825 ' CE2' HD11 ' A' ' 12' ' ' ILE . 5.5 t80 -82.54 -21.63 35.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.953 ' O ' HG23 ' A' ' 13' ' ' THR . 8.1 tt -47.95 -47.53 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -64.56 -57.94 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 40' ' ' TYR . 13.1 mt -50.46 -31.53 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.825 HD11 ' CE2' ' A' ' 8' ' ' TYR . 8.8 mm -68.55 -55.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.953 HG23 ' O ' ' A' ' 9' ' ' ILE . 43.8 p -45.22 -40.65 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 2.2 ptt? -82.01 -22.38 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.63 -42.86 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 55' ' ' LEU . 1.8 mp -79.3 -39.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 13' ' ' THR . 1.7 mp -59.55 -40.58 87.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -63.32 -25.87 68.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 24' ' ' LEU . 65.4 p -122.02 70.06 29.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -10.73 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mppt? 70.06 58.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 179.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -140.05 160.71 39.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' OD1' ' A' ' 75' ' ' ASN . 2.3 m -114.96 128.33 56.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -53.81 -52.93 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 p -48.43 -51.37 27.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.532 ' H ' HG22 ' A' ' 25' ' ' THR . . . -61.08 -38.66 95.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -62.67 -45.23 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.0 t -55.5 -48.42 74.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.44 -26.92 68.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.6 -24.25 49.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 8' ' ' TYR . 33.8 mm -80.89 -53.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' PHE . 59.3 p -60.62 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.24 -35.03 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 3.8 mmt-85 -72.41 -41.32 66.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 36' ' ' ARG . 30.2 m-85 -132.49 125.11 19.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.8 10.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.685 ' CE2' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -56.15 -43.48 78.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE1' ' CE2' ' A' ' 39' ' ' TYR . 11.5 m-85 -65.0 -41.58 95.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.46 -42.11 77.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.68 -15.49 51.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.742 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -120.07 56.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 4.0 t80 -113.52 61.75 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.97 -18.88 18.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB1' ' ND2' ' A' ' 49' ' ' ASN . . . -179.58 52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.95 ' O ' HG23 ' A' ' 51' ' ' ILE . 3.2 m95 -71.86 -46.71 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.547 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -44.96 -33.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.547 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 28.0 m-20 -82.56 -48.61 10.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.647 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 26.8 t -63.03 -32.69 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 47' ' ' TRP . 7.1 pt -73.75 -56.6 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.6 mpp_? -61.76 -18.45 59.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.777 ' ND1' ' H73' ' B' ' 257' ' ' ' DT' . 50.7 t-80 -82.11 -56.6 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' SER . 34.1 m120 -71.9 -19.18 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.93 -56.01 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.583 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 51.1 p -76.98 -51.7 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -79.82 77.43 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 166.4 -59.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.9 m-20 -66.9 -57.39 7.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.19 55.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -122.61 -163.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.43 151.11 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -129.56 173.41 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.787 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 tp -116.96 119.54 35.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tpt85 -35.46 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tp10 -105.89 133.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' CG ' H5'' ' B' ' 265' ' ' ' DC' . 18.2 Cg_endo -75.03 80.28 2.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.566 1.824 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.14 -53.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.65 114.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 154.07 -97.4 0.17 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -142.73 56.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.57 93.82 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.674 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 17.8 p-10 -122.47 -158.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.787 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -158.92 140.08 13.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CD1' ' ND2' ' A' ' 75' ' ' ASN . 10.7 m0 -125.65 136.83 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 94.1 m -121.19 132.1 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' A' ' 61' ' ' PHE . 2.1 tt -116.61 151.47 36.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.69 ' O ' HD23 ' A' ' 79' ' ' LEU . 8.3 t70 -68.65 146.31 97.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.06 86.92 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 163.71 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.563 ' HB3' HD21 ' A' ' 79' ' ' LEU . 3.4 p -78.97 -35.75 42.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.47 -36.26 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' ASN . 5.2 t0 -66.48 -56.53 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 83' ' ' SER . 25.8 ptt? -57.61 -33.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 -68.5 -45.83 71.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.29 30.19 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.1 m-20 -79.88 -59.09 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.36 -63.1 2.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.16 -60.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -153.54 -51.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp 72.9 54.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.629 ' CZ ' HG21 ' A' ' 9' ' ' ILE . 1.7 tpm_? 177.94 125.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.428 HH12 ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -59.01 -48.84 80.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER 75.39 136.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 80.24 -63.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.45 ' NH2' " O3'" ' B' ' 255' ' ' ' DA' . 6.6 ttt85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.568 11.126 3 O4'-C4'-C3' 89.851 -15.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.844 " H2'" ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.072 -33.985 3 C1'-O4'-C4' 123.469 9.835 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.844 ' H72' " H2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.387 -5.337 4 C5'-C4'-O4' 151.598 26.373 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.545 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.386 -5.417 4 C5'-C4'-O4' 123.337 8.711 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.543 8.839 4 C5'-C4'-O4' 151.07 26.044 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.569 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.069 -34.282 3 C5'-C4'-O4' 133.93 15.331 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.272 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.691 22.292 3 O4'-C4'-C3' 82.484 -23.116 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.149 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.81 33.091 3 C5'-C4'-O4' 148.023 24.139 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 1.327 " C4'" " O4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.652 18.689 3 C5'-C4'-O4' 156.059 29.162 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.476 2.711 4 C5'-C4'-O4' 151.205 26.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.529 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.62 15.827 3 C5'-C4'-O4' 136.892 17.183 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.247 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.745 27.22 3 C5'-C4'-O4' 160.431 31.894 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.603 14.24 3 C5'-C4'-O4' 144.017 21.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.447 " C2'" ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.554 9.814 4 C5'-C4'-O4' 148.528 24.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.144 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.805 32.662 3 C5'-C4'-O4' 151.152 26.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.439 4 C5'-C4'-O4' 148.017 24.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.413 H5'' ' CG ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.542 8.708 4 C5'-C4'-O4' 142.289 20.556 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.464 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.387 -5.385 4 O4'-C4'-C3' 97.547 -8.053 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.464 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.492 3 O4'-C4'-C3' 94.745 -10.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.527 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.508 5.642 3 C5'-C4'-O4' 126.941 10.963 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.527 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.471 2.232 3 O4'-C4'-C3' 99.953 -5.647 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.522 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.924 4 C5'-C4'-O4' 147.972 24.107 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.566 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.556 10.009 4 C5'-C4'-O4' 147.002 23.502 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.566 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.546 9.101 4 C5'-C4'-O4' 152.801 27.126 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.552 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.499 4.788 4 C5'-C4'-O4' 141.997 20.373 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.682 " H2'" ' H72' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.098 -31.598 3 C5'-C4'-O4' 132.22 14.263 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.711 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.288 -14.361 4 C5'-C4'-O4' 147.26 23.662 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.711 ' H72' " H2'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.233 -19.37 2 C1'-O4'-C4' 118.67 6.407 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.698 ' OP1' " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.352 -8.529 4 C5'-C4'-O4' 84.775 -15.39 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.467 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.87 4 C5'-C4'-O4' 151.137 26.085 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.187 4 C5'-C4'-O4' 149.43 25.019 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " C1'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.142 -27.645 2 C1'-O4'-C4' 121.837 8.669 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.321 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.68 21.286 3 O4'-C4'-C3' 84.353 -21.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.16 -25.984 3 C1'-O4'-C4' 121.596 8.497 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 1.4 tptt -171.32 58.25 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.01 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD2' ' OH ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.06 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -137.89 -175.32 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.512 ' OG ' ' NH1' ' A' ' 98' ' ' ARG . 6.1 p -75.04 -173.97 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 64.5 m-85 -81.09 -47.5 13.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -39.45 -33.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -54.22 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' ILE . 2.9 mm? -59.39 -29.84 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 55' ' ' LEU . 10.4 mm -66.55 -51.9 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.709 ' O ' HD23 ' A' ' 17' ' ' LEU . 48.2 m -52.4 -39.84 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 10.0 ttp -79.76 -22.11 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -74.49 -36.9 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.755 HD12 HD13 ' A' ' 79' ' ' LEU . 27.5 mm -81.61 -37.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -68.93 -52.4 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' MET . 1.1 pp0? -51.02 -24.79 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.4 p -119.48 74.26 16.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 40.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.8 OUTLIER -119.87 -13.93 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.91 61.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.88 105.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -148.58 165.81 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 76' ' ' TYR . 80.4 p -114.9 132.6 56.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -52.97 -45.19 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.507 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 23.0 t -59.25 -55.34 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -33.65 61.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.565 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -67.41 -52.35 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 39.0 t -54.08 -33.33 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.01 -33.71 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.38 -33.44 71.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.776 HG21 ' HZ3' ' A' ' 47' ' ' TRP . 5.9 mt -75.63 -58.48 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -46.2 -32.22 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.26 -37.57 72.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -76.39 -37.68 56.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.651 ' CE1' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -125.71 108.49 25.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.38 14.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -71.22 -38.49 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.816 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -58.81 -45.14 90.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -70.56 -9.14 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.71 -51.37 8.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.0 tptt -78.47 -53.92 6.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 0.5 OUTLIER 26.25 65.34 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 50' ' ' SER . . . -178.78 47.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.816 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.1 m95 -70.87 -5.08 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -69.32 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.441 ' HB2' ' N7 ' ' B' ' 258' ' ' ' DA' . 0.0 OUTLIER -76.46 -31.14 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 1.7 p -48.89 -54.28 16.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 55' ' ' LEU . 6.4 pt -77.26 -50.4 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' NE2' HD22 ' A' ' 57' ' ' LEU . 53.8 t-80 -80.3 -58.73 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.521 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 27.7 m120 -65.61 -11.51 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.621 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -86.07 -59.62 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.28 -47.69 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.599 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.12 87.69 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.1 m120 155.38 -49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.4 m-20 -80.71 -61.31 2.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.6 t 95.43 61.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.759 ' CD2' HD12 ' A' ' 79' ' ' LEU . 1.8 p90 -126.23 -160.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.34 165.77 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -174.59 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 13.4 mm -122.49 109.29 32.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.06 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CG ' ' O2 ' ' C' ' 352' ' ' ' DT' . 5.7 mtm-85 -33.45 103.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -127.9 176.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 63.85 6.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 175.05 49.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' ND2' " H5'" ' C' ' 353' ' ' ' DT' . 7.0 m-20 -132.58 64.19 70.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 70.83 5.18 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 101.45 -65.9 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 13.0 mtmm -142.64 58.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -117.74 126.45 6.91 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.9 p-10 -162.57 -178.36 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 12.9 m-85 -150.51 138.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.621 ' CZ3' ' HG ' ' A' ' 55' ' ' LEU . 11.1 m0 -124.23 136.93 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.3 m -118.15 135.44 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.6 tt -119.14 157.21 28.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.816 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.19 155.5 46.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -75.05 90.46 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.9 mt-30 165.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 60.6 p -81.07 -41.86 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.7 -57.04 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 59' ' ' ASP . 22.8 ttp -71.42 -36.59 71.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CD2' ' O ' ' A' ' 83' ' ' SER . 11.2 m-85 -79.59 4.96 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.47 44.52 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -71.28 -177.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.58 -66.7 2.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t 179.65 73.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.84 29.94 6.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HA ' ' OP1' ' B' ' 255' ' ' ' DA' . 4.9 mp -135.67 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -123.78 60.42 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 161.07 82.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -52.34 43.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.55 82.97 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NH1' ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 1.056 " O4'" " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.899 41.194 3 O4'-C4'-C3' 79.258 -26.342 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.766 " H2'" ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.07 -34.163 3 C5'-C4'-O4' 93.107 -10.183 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.766 ' H72' " H2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.387 -5.405 4 C5'-C4'-O4' 151.37 26.231 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.443 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.471 2.273 4 C5'-C4'-O4' 125.004 9.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . 0.405 H2'' ' OP2' ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.594 13.438 3 C5'-C4'-O4' 151.951 26.594 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.49 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.099 -31.573 3 C1'-O4'-C4' 121.194 8.21 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.49 " H4'" " H1'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.205 -21.939 4 C5'-C4'-O4' 141.858 20.286 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.682 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.301 3 C5'-C4'-O4' 140.115 19.197 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.682 " H4'" " H1'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.522 6.91 3 C5'-C4'-O4' 147.37 23.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.702 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 125.999 10.374 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.407 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.529 7.543 3 C5'-C4'-O4' 138.776 18.36 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.185 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.788 31.065 3 C5'-C4'-O4' 156.286 29.304 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.503 5.166 4 C5'-C4'-O4' 152.844 27.153 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.462 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.92 4 C5'-C4'-O4' 137.184 17.365 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.173 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.753 27.88 3 C5'-C4'-O4' 159.729 31.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.054 4 C5'-C4'-O4' 150.794 25.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.513 6.085 4 C5'-C4'-O4' 142.187 20.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.459 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.383 -5.729 4 C5'-C4'-O4' 124.016 9.135 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.459 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.58 12.187 3 O4'-C4'-C3' 94.286 -11.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.47 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.441 4 C5'-C4'-O4' 129.595 12.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.675 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.483 3.407 4 C5'-C4'-O4' 137.884 17.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.675 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.568 11.069 3 C5'-C4'-O4' 154.886 28.429 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.497 H2'' ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.577 11.916 3 O4'-C4'-C3' 94.196 -11.404 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.701 ' C6 ' ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.53 7.63 3 C5'-C4'-O4' 139.03 18.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.701 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.408 -3.469 4 C5'-C4'-O4' 139.8 19.0 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.702 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.299 3 C5'-C4'-O4' 138.33 18.081 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.42 ' H71' H2'' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.627 16.439 3 C5'-C4'-O4' 155.441 28.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.733 " H2'" ' H72' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.143 -27.534 3 C5'-C4'-O4' 138.716 18.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.733 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.548 9.284 3 O4'-C4'-C3' 90.432 -15.168 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.416 4 C5'-C4'-O4' 130.593 13.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 146.789 23.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.59 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -1.988 1 O4'-C1'-N19 111.203 4.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.341 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.642 17.773 3 O4'-C4'-C3' 92.707 -12.893 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.257 -17.197 3 C5'-C4'-O4' 95.346 -8.784 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.735 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 33.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 6.9 mttt 113.76 -55.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.75 ' HD3' ' HB2' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.97 125.66 9.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.543 ' CB ' ' OH ' ' A' ' 40' ' ' TYR . 18.1 Cg_endo -75.01 167.93 25.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.495 1.787 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -107.15 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.585 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 67.7 p -66.19 96.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.558 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 43.9 m-85 -51.21 -27.65 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 10' ' ' ALA . 8.0 pt -61.2 -36.49 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -70.25 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD13 HD13 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -47.97 -34.33 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 51' ' ' ILE . 4.9 mm -69.94 -53.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 6.4 tmm? -80.43 -36.17 34.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -60.94 -28.57 69.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 HG23 ' A' ' 12' ' ' ILE . 1.6 mp -85.31 -49.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.0 -39.65 82.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.38 -26.04 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.561 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.6 p -120.8 73.37 23.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 -4.81 15.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.05 -8.68 47.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 70.48 57.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.66 112.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -149.63 160.14 43.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.515 ' O ' HD13 ' A' ' 29' ' ' ILE . 78.2 p -118.24 127.01 53.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 55' ' ' LEU . 1.9 tm? -50.74 -53.28 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 t -50.38 -52.21 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.07 -31.66 81.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.563 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -65.71 -45.53 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.7 t -61.12 -38.62 86.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -64.51 -39.49 93.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -71.34 -32.48 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.657 HD13 HD13 ' A' ' 11' ' ' LEU . 2.5 mt -75.95 -26.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' PHE . 54.6 p -71.59 -43.87 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.36 -44.71 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 3.7 mmt180 -67.84 -32.45 72.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -130.14 105.13 16.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 8.0 p90 -57.5 -30.53 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' OH ' ' CB ' ' A' ' 5' ' ' PRO . 3.1 t80 -61.89 -49.97 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -75.93 -6.82 52.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 1.8 mt-10 -81.54 -46.97 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.5 tptp -80.2 -48.07 13.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 35.85 72.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.0 31.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 75.22 57.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 8.7 p-90 -94.07 26.48 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.443 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.17 -66.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HB2' ' N6 ' ' B' ' 259' ' ' ' DA' . 21.2 p30 -73.07 -18.87 61.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.3 m -64.53 -56.48 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -68.32 -37.11 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.637 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 1.7 t-80 -71.21 -59.2 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TYR . 2.8 m-20 -65.78 -14.82 62.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 26' ' ' LEU . 3.0 tp -81.98 -54.32 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 84.1 p -71.56 -53.29 14.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 87.27 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.57 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.8 m-20 -78.77 -48.36 14.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER 89.9 75.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 8.8 p90 -136.35 -163.95 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 78' ' ' THR . 32.2 m -123.44 163.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -177.7 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.6 mm -117.5 123.65 29.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 -160.58 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' " H5'" ' B' ' 265' ' ' ' DC' . 0.0 OUTLIER -65.43 58.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.767 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 1.5 tt0 -141.22 43.15 0.51 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HD3' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.02 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.76 5.08 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.31 137.92 27.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 160.2 -164.89 34.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HA ' " O3'" ' C' ' 352' ' ' ' DT' . 0.1 OUTLIER -96.67 40.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.52 127.07 8.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.637 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 30.9 p30 -141.94 -164.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 13.8 m-85 -147.7 143.1 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.1 m0 -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' VAL . 72.8 m -116.99 142.77 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -120.54 162.51 19.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.595 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.7 t70 -81.67 144.76 53.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.02 81.52 2.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.1 mt-30 163.66 43.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 90.3 p -72.94 -53.36 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.55 -53.52 56.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.13 -41.51 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 33.2 ttp -62.42 -54.19 43.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' ' 93' ' ' LEU . 1.1 m-85 -54.9 -42.15 71.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -68.99 -53.05 22.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -39.5 -56.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.24 -55.84 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.86 38.58 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -152.11 53.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -119.2 145.79 45.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.507 ' NH1' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 65.0 125.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.519 ' CD ' " H4'" ' C' ' 363' ' ' ' DA' . 16.0 mtt85 -52.22 -52.82 50.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 95' ' ' ARG . 0.9 OUTLIER 177.1 -61.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 89.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.507 ' NH1' ' NH1' ' A' ' 94' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.476 3 O4'-C4'-C3' 96.427 -9.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.565 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.468 1.997 4 C5'-C4'-O4' 95.204 -8.872 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.565 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.61 14.954 3 C5'-C4'-O4' 151.513 26.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.546 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.814 4 C5'-C4'-O4' 133.049 14.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.562 10.565 3 C5'-C4'-O4' 150.777 25.861 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.684 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.071 -34.058 3 C5'-C4'-O4' 134.491 15.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.301 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.688 21.973 3 C5'-C4'-O4' 148.112 24.195 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.586 ' C4 ' ' C2 ' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.62 15.845 3 C5'-C4'-O4' 141.066 19.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 1.28 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.68 21.233 3 C5'-C4'-O4' 156.118 29.199 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.781 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.599 13.878 3 C5'-C4'-O4' 139.38 18.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.42 ' N6 ' ' HB2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.616 15.458 3 C5'-C4'-O4' 148.178 24.236 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.239 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.708 23.83 3 C5'-C4'-O4' 159.583 31.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.362 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.645 18.11 3 C5'-C4'-O4' 149.041 24.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.563 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.547 9.179 4 C5'-C4'-O4' 149.606 25.129 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.563 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.596 13.607 3 C5'-C4'-O4' 149.969 25.356 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.571 11.346 3 O4'-C4'-C3' 95.427 -10.173 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 1.293 " O4'" " C4'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.636 17.227 3 C5'-C4'-O4' 145.165 22.353 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.461 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.381 -5.952 4 O4'-C4'-C3' 98.058 -7.542 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.461 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.587 12.815 3 O4'-C4'-C3' 93.893 -11.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.581 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.475 2.646 4 C5'-C4'-O4' 138.931 18.457 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.71 " H2'" ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.168 -25.246 2 C1'-O4'-C4' 116.43 4.807 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.71 ' H72' " H2'" ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.379 -6.095 4 C5'-C4'-O4' 149.963 25.352 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.577 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.458 4 C5'-C4'-O4' 133.073 14.795 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.693 " H2'" ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.108 -30.724 3 C5'-C4'-O4' 128.761 12.101 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.693 ' H72' " H2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.31 -12.342 4 C5'-C4'-O4' 147.998 24.124 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.334 4 C5'-C4'-O4' 121.586 7.616 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.457 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.226 3 C5'-C4'-O4' 155.762 28.976 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.156 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.55 3 O4'-C4'-C3' 80.852 -24.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.53 " C2'" ' H71' ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.327 -10.844 3 C5'-C4'-O4' 90.237 -11.977 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.53 ' H71' " C2'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.509 5.76 4 C5'-C4'-O4' 147.019 23.512 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.419 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.413 4 C5'-C4'-O4' 149.616 25.135 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.592 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.404 -3.854 3 C1'-O4'-C4' 115.912 4.437 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.592 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.598 13.816 2 O4'-C4'-C3' 93.454 -12.146 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.192 -23.116 3 C5'-C4'-O4' 96.353 -8.155 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' O ' ' HD2' ' A' ' 3' ' ' LYS . 11.9 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HG3' ' HD2' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 170.58 143.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.539 ' HD2' ' HG3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 94' ' ' ARG . 18.1 Cg_endo -75.09 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.93 113.34 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.476 ' OG ' ' OP2' ' B' ' 256' ' ' ' DA' . 2.5 p -72.17 176.08 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HB3' HD12 ' A' ' 51' ' ' ILE . 23.4 m-85 -82.12 -20.17 38.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -48.07 -43.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG1' ' A' ' 13' ' ' THR . . . -65.05 -52.01 58.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 37' ' ' PHE . 45.3 mt -54.31 -37.82 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 51' ' ' ILE . 1.1 mp -68.6 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.672 HG21 ' CE1' ' A' ' 87' ' ' PHE . 1.6 p -41.6 -33.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 11.6 ttp -79.9 -40.71 27.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -59.71 -26.66 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 79' ' ' LEU . 31.0 mm -84.08 -56.47 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 13' ' ' THR . 0.8 OUTLIER -55.03 -45.62 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -47.5 -40.27 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 31.0 p -68.35 108.59 2.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 -4.18 15.02 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.1 33.72 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 29.66 64.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' SER . 13.5 ttmt -174.65 142.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 29' ' ' ILE . 2.1 pt? -157.98 167.5 29.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.9 m -121.74 143.07 49.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.639 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.9 tm? -59.12 -56.38 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.6 p -47.68 -55.83 8.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.94 -34.97 81.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 25' ' ' THR . 1.1 mp -63.68 -53.32 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 t -48.96 -42.93 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -73.12 -22.35 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 29' ' ' ILE . 37.8 mm -80.44 -43.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 43.5 p -69.16 -57.64 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.2 -46.81 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 10.0 mmm180 -64.03 -54.28 36.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 39.5 m-85 -118.0 119.84 33.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CD2' ' HD3' ' A' ' 3' ' ' LYS . 19.4 m-85 -54.4 -38.95 66.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.79 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.5 m-30 -64.99 -36.82 85.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 4.2 ttt180 -79.97 -22.33 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.82 -58.91 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' PHE . 5.6 mtmt -71.61 -53.72 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.6 t80 23.37 62.1 0.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -25.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 176.26 59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CH2' ' CG ' ' A' ' 40' ' ' TYR . 18.6 m95 -80.44 -11.88 59.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.002 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.8 tt0 -62.8 -55.43 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.48 -36.25 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.691 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 0.4 OUTLIER -58.38 -52.39 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.671 HD12 ' HB3' ' A' ' 8' ' ' TYR . 1.2 tp -69.81 -52.07 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.4 mtt180 -56.9 -28.18 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.619 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 41.5 t-80 -74.88 -58.09 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -66.86 -14.77 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 61' ' ' PHE . 10.3 tp -84.13 -55.16 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.02 -51.64 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.964 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 mm? -80.55 91.37 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 151.17 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 6.9 m-20 -81.19 -41.63 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 47.3 m 67.52 74.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -128.96 -145.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 33.3 m -134.86 156.25 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -136.98 177.27 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' OE1' ' A' ' 67' ' ' GLU . 9.1 mm -119.09 113.56 35.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.1 Cg_endo -75.04 178.58 7.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' CD ' " O4'" ' C' ' 352' ' ' ' DT' . 11.1 tpt180 -37.55 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' OE1' HD12 ' A' ' 64' ' ' ILE . 2.2 mt-10 -128.54 164.47 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.96 -76.68 1.05 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.81 129.02 14.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.41 -88.26 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.0 OUTLIER -144.85 61.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.5 114.26 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -141.16 -173.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -147.8 129.12 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 12.0 m0 -121.7 140.25 52.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 108.035 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 52.6 m -130.72 139.69 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 HG21 ' A' ' 16' ' ' ILE . 8.3 tt -115.79 156.49 25.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.721 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.2 m-20 -68.67 157.41 88.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -165.15 37.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' HA ' ' SD ' ' A' ' 86' ' ' MET . 2.1 t -79.48 -31.47 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -33.7 28.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -55.02 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 83' ' ' SER . 3.3 ptm -62.32 -11.56 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.65 30.97 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.69 -43.54 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -43.89 -53.4 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.24 -174.59 8.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' PHE . 31.9 t -132.33 49.35 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 91' ' ' SER . 58.1 t80 58.72 46.37 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.96 169.2 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 5' ' ' PRO . 2.6 mmm180 -52.61 175.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.464 ' NE ' ' OP1' ' B' ' 256' ' ' ' DA' . 0.0 OUTLIER -55.48 -51.6 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.98 64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.31 133.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' NH1' " H5'" ' B' ' 255' ' ' ' DA' . 2.8 tpp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.516 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.587 12.821 3 C5'-C4'-O4' 85.326 -15.047 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.561 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.204 -22.033 3 C1'-O4'-C4' 120.85 7.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.561 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.516 6.397 4 C5'-C4'-O4' 131.841 14.026 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.09 4 C5'-C4'-O4' 130.894 13.434 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.396 4 C5'-C4'-O4' 148.167 24.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.481 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.1 -31.422 3 C5'-C4'-O4' 138.552 18.22 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.696 ' C2 ' ' C4 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.168 -25.287 3 C5'-C4'-O4' 141.313 19.946 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.291 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.69 22.204 3 C5'-C4'-O4' 159.543 31.339 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.691 ' H72' ' HA ' ' A' ' 50' ' ' SER . . . . . . . . 1 O4'--C4' 1.524 7.132 4 C5'-C4'-O4' 153.974 27.859 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.604 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.429 -1.507 4 C5'-C4'-O4' 149.402 25.002 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.431 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.562 10.569 3 C5'-C4'-O4' 136.194 16.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.168 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.85 36.708 3 C5'-C4'-O4' 155.799 29.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.305 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.639 17.578 3 C5'-C4'-O4' 149.049 24.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.518 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.624 16.201 3 C5'-C4'-O4' 154.226 28.016 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.518 ' H71' H2'' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.57 11.303 3 C5'-C4'-O4' 149.702 25.189 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.515 6.286 4 O4'-C4'-C3' 94.805 -10.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.583 12.478 3 C5'-C4'-O4' 146.036 22.897 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.582 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.471 2.243 4 C5'-C4'-O4' 129.899 12.812 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.582 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.589 13.004 3 O4'-C4'-C3' 93.674 -11.926 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.547 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.507 5.523 3 C5'-C4'-O4' 130.352 13.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.547 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.534 8.031 3 C5'-C4'-O4' 126.576 10.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.482 ' OP2' H2'' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.611 14.979 3 C5'-C4'-O4' 150.608 25.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.55 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.616 15.449 3 C5'-C4'-O4' 156.926 29.704 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.55 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.535 8.067 3 C5'-C4'-O4' 139.159 18.599 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.537 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.474 2.567 4 C5'-C4'-O4' 141.978 20.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.604 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.591 13.185 3 C5'-C4'-O4' 143.214 21.133 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.545 ' H72' ' C8 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.579 12.133 3 C5'-C4'-O4' 154.522 28.201 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.158 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.809 32.99 3 C5'-C4'-O4' 154.693 28.308 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.546 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.508 4 O4'-C4'-C3' 97.444 -8.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 1.379 " O4'" " C4'" ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.631 16.776 3 C5'-C4'-O4' 154.03 27.894 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.297 4 C5'-C4'-O4' 149.058 24.786 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 1.04 " O4'" " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.893 40.607 3 C5'-C4'-O4' 166.774 35.859 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.285 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.738 26.559 3 O4'-C4'-C3' 82.462 -23.138 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . 0.418 " C5'" " H1'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.177 -24.431 3 C5'-C4'-O4' 93.946 -9.659 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 39' ' ' TYR . 2.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.73 169.68 1.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.604 ' O ' ' CE1' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -74.95 160.43 40.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.05 174.23 13.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 2.1 m-85 -140.22 179.74 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.454 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 79.8 p -69.34 109.47 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.545 ' HD2' HD12 ' A' ' 51' ' ' ILE . 4.1 m-85 -58.21 -25.03 61.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -50.57 -40.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -66.04 -55.72 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -49.73 -35.96 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 55' ' ' LEU . 1.1 mp -73.08 -41.07 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 17' ' ' LEU . 18.4 m -51.43 -48.69 62.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 18.2 ptm -74.08 -30.32 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -65.14 -31.69 73.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 24' ' ' LEU . 32.6 mm -79.84 -49.66 18.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 13' ' ' THR . 4.4 mm? -58.26 -27.75 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -56.91 -28.09 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.869 ' OG ' HD23 ' A' ' 24' ' ' LEU . 18.6 p -111.37 95.08 24.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 14.96 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -114.5 13.19 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 40.14 59.02 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 112.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -144.6 173.71 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 75' ' ' ASN . 30.5 p -111.96 123.82 51.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -48.08 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -60.42 -51.17 70.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.1 -45.08 83.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -63.84 -44.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -35.22 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.34 -39.78 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.3 -30.56 71.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.3 mt -79.2 -57.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -33.81 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 5.6 mmm180 -63.71 -31.02 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -137.76 88.47 16.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CD1' HG21 ' A' ' 2' ' ' VAL . 9.8 p90 -73.88 -28.07 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -63.86 -50.15 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -63.56 -20.1 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.29 -40.48 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.97 10.38 41.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CZ ' " H3'" ' B' ' 257' ' ' ' DT' . 1.0 OUTLIER -148.53 71.14 10.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.76 3.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB3' ' OP2' ' B' ' 258' ' ' ' DA' . . . -172.26 63.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.825 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 4.2 m95 -107.33 12.87 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.533 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -78.48 -71.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -75.84 -29.85 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 15.2 t -53.9 -56.14 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.825 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 3.8 tp -70.67 -47.82 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' H72' ' C' ' 355' ' ' ' DT' . 0.0 OUTLIER -52.49 -37.19 56.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CE1' HD22 ' A' ' 57' ' ' LEU . 37.2 t-80 -66.91 -58.3 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 34.2 m120 -67.1 -12.03 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 20.9 tp -85.02 -57.86 2.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.562 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -78.02 -50.58 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.2 tt -76.56 77.9 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.93 -51.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 21.6 m-20 -80.15 -45.44 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m 68.88 65.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -118.78 -160.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.415 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 92.9 t -119.65 147.96 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 164.33 30.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.4 pp -118.16 129.03 25.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.511 ' HB3' " C5'" ' C' ' 354' ' ' ' DG' . 18.2 Cg_endo -75.0 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -48.02 92.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.5 mt-10 -87.74 165.03 32.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 58.26 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 36.95 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -125.38 79.31 66.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' " H3'" ' C' ' 352' ' ' ' DT' . . . 94.29 -76.31 1.0 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 54.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -106.28 69.81 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 34.7 p-10 -109.68 166.07 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 64' ' ' ILE . 8.7 m-85 -133.91 140.33 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.54 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 9.5 m0 -125.59 138.49 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 20.1 m -120.26 152.02 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -117.0 152.05 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -85.65 165.94 32.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.83 4.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 86' ' ' MET . 23.0 tt0 -175.09 36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.696 ' HB2' HD22 ' A' ' 79' ' ' LEU . 41.5 t -78.66 -52.18 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.89 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -41.86 71.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 49.1 ttp -65.66 -56.71 10.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 5.0 m-85 -60.99 -32.2 71.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -55.91 29.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -81.92 49.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.43 -104.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -178.24 63.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER 51.18 39.37 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' PHE . 1.7 tp 84.99 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -68.33 -167.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.591 ' CZ ' ' NH2' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -65.41 -44.23 88.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 36.33 47.52 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -159.15 -67.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 51.9 ttp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 4 O4'-C4'-C3' 98.343 -7.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.451 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.334 -10.18 4 C1'-O4'-C4' 118.699 6.428 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 1.279 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.737 26.416 3 C5'-C4'-O4' 156.993 29.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.327 -10.817 4 C5'-C4'-O4' 147.48 23.8 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . 0.568 H2'' ' OP2' ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.175 -24.614 3 C5'-C4'-O4' 89.541 -12.412 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.568 ' OP2' H2'' ' B' ' 253' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.07 -34.19 3 C1'-O4'-C4' 123.497 9.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.559 " H4'" " H1'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.17 -25.087 3 C5'-C4'-O4' 141.917 20.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.738 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.117 -29.867 3 C5'-C4'-O4' 140.313 19.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.738 " H4'" " H1'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.563 10.651 3 C5'-C4'-O4' 147.889 24.056 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.617 ' C8 ' ' C2 ' ' B' ' 257' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.462 1.449 3 C5'-C4'-O4' 121.669 7.668 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.479 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.573 11.507 3 C5'-C4'-O4' 145.977 22.861 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.178 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.825 34.48 3 C5'-C4'-O4' 154.952 28.47 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 0.597 ' C2 ' ' C2 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.566 10.873 3 C5'-C4'-O4' 142.244 20.528 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.466 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.48 4 C5'-C4'-O4' 145.495 22.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.466 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.4 4 C5'-C4'-O4' 147.082 23.551 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.497 " C2'" " O5'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.119 -29.735 3 C5'-C4'-O4' 94.638 -9.226 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.497 " O5'" " C2'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.25 -17.855 4 C5'-C4'-O4' 146.179 22.987 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.448 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.391 -5.04 4 C5'-C4'-O4' 127.67 11.419 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.448 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.566 10.924 3 O4'-C4'-C3' 94.944 -10.656 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.481 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.422 4 C5'-C4'-O4' 128.521 11.951 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.481 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.452 3 C5'-C4'-O4' 124.447 9.405 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.506 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.58 12.207 3 C5'-C4'-O4' 149.922 25.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.597 ' C2 ' ' C2 ' ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.505 5.393 4 C5'-C4'-O4' 136.177 16.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.737 " H2'" ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.094 -31.987 3 C5'-C4'-O4' 129.003 12.252 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.737 ' H72' " H2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.294 -13.789 4 C5'-C4'-O4' 147.527 23.83 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.613 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.468 4 C5'-C4'-O4' 126.946 10.967 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.479 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.671 4 C5'-C4'-O4' 154.038 27.899 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.257 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.745 27.197 3 C5'-C4'-O4' 160.362 31.851 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.602 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.509 4 C5'-C4'-O4' 94.623 -9.236 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.602 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.527 7.384 3 C5'-C4'-O4' 140.056 19.16 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.381 -5.915 4 C5'-C4'-O4' 146.698 23.311 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.623 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.509 5.742 2 O4'-C4'-C3' 99.054 -6.546 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.347 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.635 17.207 3 O4'-C4'-C3' 93.05 -12.55 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.197 -22.631 3 C1'-O4'-C4' 120.795 7.925 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 43' ' ' LYS . 71.7 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 76.61 2.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.97 113.85 3.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -75.01 -49.77 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' A' ' 5' ' ' PRO . 2.3 m-85 -105.02 150.59 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.588 ' O ' HD23 ' A' ' 11' ' ' LEU . 51.1 m -77.89 -167.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.531 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.5 m-85 -63.4 -50.67 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.91 -47.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.637 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 37' ' ' PHE . 4.5 mm? -58.61 -33.9 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.589 HD13 ' N ' ' A' ' 12' ' ' ILE . 2.7 mm -66.1 -57.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.987 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.2 m -43.09 -49.73 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.585 ' SD ' HD13 ' A' ' 11' ' ' LEU . 18.7 ptm -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -79.2 -55.63 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.858 HD12 HD13 ' A' ' 79' ' ' LEU . 36.2 mm -54.18 -35.51 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -64.97 -12.16 46.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 8.2 mm100 -71.38 -35.68 71.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.647 ' OG ' HD13 ' A' ' 24' ' ' LEU . 24.1 p -126.11 66.33 59.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.04 53.96 3.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 13.1 tt0 -138.96 -78.23 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 172.52 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -179.93 133.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.647 HD13 ' OG ' ' A' ' 19' ' ' SER . 8.8 tp -156.75 172.45 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 75' ' ' ASN . 89.5 m -157.94 117.94 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -50.08 -52.5 34.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 p -47.83 -46.85 31.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.47 85.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -66.1 -59.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.588 ' N ' HG22 ' A' ' 29' ' ' ILE . 2.0 t -49.6 -39.27 34.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -34.03 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -80.82 -17.18 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.51 HG13 ' CD1' ' A' ' 51' ' ' ILE . 30.9 mm -81.55 -56.18 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -57.97 -35.38 71.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.55 -48.58 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -74.63 -37.17 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CE2' HD11 ' A' ' 11' ' ' LEU . 14.8 m-85 -135.86 96.94 12.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD1' ' A' ' 40' ' ' TYR . 20.3 p90 -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.688 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -55.17 -46.44 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -33.85 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.71 -25.32 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HD2' HG13 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -79.6 -31.72 41.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE1' ' OP2' ' B' ' 258' ' ' ' DA' . 16.5 t80 -144.91 102.19 4.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.82 67.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 4.5 m95 -106.2 13.02 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.953 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -76.08 -77.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 50' ' ' SER . 5.9 p30 -64.8 -29.91 70.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.585 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 1.9 m -58.76 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 33' ' ' ILE . 4.2 tt -64.38 -46.54 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.726 ' CZ ' ' H72' ' C' ' 355' ' ' ' DT' . 1.1 tmm_? -51.78 -41.28 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 15.0 t-80 -59.09 -54.58 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.39 -11.59 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CZ3' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -83.07 -60.48 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -74.24 -49.32 23.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -78.76 75.97 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 169.74 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 72.6 m-20 -80.02 -56.88 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.9 m 89.08 72.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 1.1 p90 -127.45 -167.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' HB ' ' A' ' 78' ' ' THR . 15.5 m -119.33 138.83 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -122.83 -179.61 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 10.0 mm -119.59 118.67 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -36.43 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' PRO . 18.6 tt0 -107.6 141.54 23.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.01 61.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.51 -58.8 0.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.81 121.16 11.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 150.37 -91.4 0.14 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 56.33 1.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.56 108.87 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 77' ' ' TRP . 20.8 p-10 -135.73 -168.38 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -141.77 143.5 33.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.667 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.0 m0 -131.02 144.13 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.598 ' HB ' HG23 ' A' ' 62' ' ' VAL . 28.8 m -132.57 128.29 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD13 HD12 ' A' ' 16' ' ' ILE . 2.7 tt -117.22 155.3 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -73.06 148.14 88.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 80.34 2.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.32 40.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.2 p -74.91 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -48.78 -30.6 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.02 -41.45 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.638 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 tmm? -59.03 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CZ ' ' HE1' ' A' ' 86' ' ' MET . 61.8 m-85 -73.68 -46.6 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -57.51 -42.7 83.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -40.6 127.23 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.2 54.44 2.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.96 -44.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -95.47 22.59 6.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 95' ' ' ARG . 2.5 pp -73.55 157.04 37.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.637 ' HD2' ' HB2' ' A' ' 10' ' ' ALA . 13.5 ttt85 -85.89 55.3 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.565 ' H ' HD12 ' A' ' 93' ' ' LEU . 0.8 OUTLIER 71.03 -4.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' C ' ' O ' ' A' ' 95' ' ' ARG . 0.1 OUTLIER 29.63 42.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -173.66 -78.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' CZ ' ' NH1' ' A' ' 95' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.588 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.15 -26.954 3 C5'-C4'-O4' 90.944 -11.535 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.588 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.871 4 O4'-C4'-C3' 97.769 -7.831 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.524 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.622 15.971 3 C5'-C4'-O4' 156.808 29.63 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.433 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.423 4 C5'-C4'-O4' 138.43 18.144 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.548 9.279 3 C5'-C4'-O4' 152.722 27.076 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.514 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.077 -33.511 3 C5'-C4'-O4' 133.373 14.983 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.926 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.098 -31.622 3 C5'-C4'-O4' 138.981 18.488 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.369 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.643 17.927 3 C5'-C4'-O4' 148.513 24.445 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.529 " H1'" " H4'" ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.098 -31.636 2 C1'-O4'-C4' 121.272 8.265 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.75 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.397 -4.423 4 C5'-C4'-O4' 148.611 24.507 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.432 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.488 3.849 4 C5'-C4'-O4' 141.834 20.271 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.114 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.852 36.893 3 C5'-C4'-O4' 156.523 29.452 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.604 14.361 3 C5'-C4'-O4' 156.013 29.133 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.572 " H2'" ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.749 4 C5'-C4'-O4' 147.863 24.04 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.572 ' H72' " H2'" ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.109 -30.633 3 C5'-C4'-O4' 92.641 -10.474 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.533 ' OP1' " H4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.409 3 C5'-C4'-O4' 151.575 26.359 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.457 H5'' ' CD ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.524 7.13 4 C5'-C4'-O4' 148.204 24.253 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.508 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.746 3 O4'-C4'-C3' 99.031 -6.569 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.508 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.549 9.381 3 O4'-C4'-C3' 95.343 -10.257 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.559 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.451 4 C5'-C4'-O4' 132.138 14.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.559 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.702 3 O4'-C4'-C3' 101.138 -4.462 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.468 ' H71' " C2'" ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.509 5.722 4 C5'-C4'-O4' 150.454 25.658 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 1.339 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.663 19.722 3 C5'-C4'-O4' 154.292 28.058 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.726 ' H72' ' CZ ' ' A' ' 52' ' ' ARG . . . . . . . . 0 O4'--C4' 1.479 2.981 3 C5'-C4'-O4' 130.605 13.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.42 H2'' ' OP2' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.559 10.235 3 C5'-C4'-O4' 148.826 24.641 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.75 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.345 3 C5'-C4'-O4' 131.748 13.968 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.748 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.077 -33.539 3 C5'-C4'-O4' 136.753 17.096 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.239 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.706 23.673 3 C5'-C4'-O4' 159.133 31.083 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.539 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.279 4 C5'-C4'-O4' 87.942 -13.412 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.539 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.556 10.044 3 C5'-C4'-O4' 138.932 18.457 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.362 -7.638 4 C5'-C4'-O4' 143.55 21.344 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.568 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.399 -4.276 3 C1'-O4'-C4' 115.872 4.409 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.568 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.188 2 O4'-C4'-C3' 92.959 -12.641 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.229 -19.709 3 C5'-C4'-O4' 94.361 -9.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.71 156.31 71.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 6' ' ' TYR . 18.1 Cg_endo -75.05 167.63 26.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.547 1.814 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' O ' ' NH2' ' A' ' 94' ' ' ARG . 18.2 Cg_endo -75.03 40.18 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' CD2' ' O ' ' A' ' 7' ' ' SER . 1.7 p90 -101.53 146.73 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.497 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 9.7 t -90.99 -179.94 5.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' N ' ' OG ' ' A' ' 7' ' ' SER . 31.4 m-85 -80.51 -24.16 39.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.558 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -40.9 -38.62 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.78 -52.13 65.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.696 HD11 ' CE2' ' A' ' 37' ' ' PHE . 15.1 mt -60.2 -34.3 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 55' ' ' LEU . 19.7 mm -64.62 -60.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.997 HG21 ' CE1' ' A' ' 87' ' ' PHE . 22.7 p -45.71 -37.06 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 37.4 ttp -79.33 -29.31 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -67.74 -35.12 78.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.593 HG12 HD13 ' A' ' 79' ' ' LEU . 1.8 mp -83.84 -48.04 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -56.21 -51.19 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.1 pp0? -47.7 -28.6 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.463 ' OG ' HD22 ' A' ' 24' ' ' LEU . 85.3 p -118.71 75.93 13.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 5.28 4.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -9.38 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 66.97 58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER 179.23 105.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -141.2 160.2 40.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 51.9 p -115.3 122.48 46.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.0 tm? -46.72 -44.15 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 88.7 p -57.02 -56.53 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.66 -35.32 66.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -64.7 -51.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -50.32 -45.53 54.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.76 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -23.87 60.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 11' ' ' LEU . 26.3 mm -77.4 -57.29 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 p -55.2 -46.51 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -50.88 -45.22 59.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -67.58 -51.1 54.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 11' ' ' LEU . 2.6 m-85 -124.74 100.8 33.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 46.1 p90 -55.72 -37.3 68.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 2.1 t80 -54.23 -40.89 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.72 -35.14 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.39 -11.38 60.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 2.5 tmtt? -105.6 -36.02 7.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.663 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 2.3 t80 -141.09 68.37 27.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . -178.35 61.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.623 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -111.72 21.18 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 4.6 tt0 -54.7 -63.5 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.595 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.03 -27.62 48.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 3.3 t -60.13 -54.92 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.494 ' CG1' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -69.7 -49.25 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.0 mpp_? -50.56 -50.77 52.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.664 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 42.4 t-80 -55.71 -58.31 8.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.21 -13.06 15.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -82.71 -59.97 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -74.05 -51.55 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 3.9 mm? -71.8 66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 169.46 -55.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.614 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.1 m-20 -75.49 -45.23 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 13.2 m 70.44 60.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -121.91 -163.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.46 151.86 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -138.66 160.88 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 76' ' ' TYR . 12.2 tt -116.57 134.24 22.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -75.0 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.88 115.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 9.6 mm-40 -98.56 149.59 35.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.27 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.95 -61.5 6.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.97 100.97 6.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.3 Cg_endo -74.94 -96.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 20.52 -91.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' PRO . 23.0 mtpt -139.36 41.11 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.4 122.36 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.0 p-10 -149.49 172.04 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -132.98 140.0 47.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 10.1 m0 -130.13 133.67 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.593 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 56.7 m -117.47 129.45 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.869 HD12 ' HD2' ' A' ' 61' ' ' PHE . 5.2 tt -115.35 152.19 33.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.27 148.27 83.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -74.98 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 170.76 37.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 79' ' ' LEU . 85.3 p -82.08 -52.9 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -55.04 -26.17 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.76 -40.48 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -60.18 -51.75 68.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.997 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -67.18 -28.23 67.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.38 -41.3 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -43.16 -53.71 4.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.73 -141.87 1.66 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.72 47.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 0.72 . . . . 0.0 109.993 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 56.81 46.57 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 138.39 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -72.32 108.23 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 13.4 tpp180 70.72 72.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -158.01 72.98 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 64.48 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.549 " H4'" H5'' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.736 3 C5'-C4'-O4' 92.167 -10.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.661 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.435 4 C5'-C4'-O4' 96.037 -8.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.661 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.623 16.055 3 C5'-C4'-O4' 157.648 30.155 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.367 -7.193 4 C5'-C4'-O4' 147.005 23.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . 0.433 H2'' ' OP2' ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.207 -21.739 3 C1'-O4'-C4' 120.113 7.438 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.572 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.888 3 C5'-C4'-O4' 93.66 -9.837 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.618 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.157 -26.269 3 C5'-C4'-O4' 140.064 19.165 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.618 " H4'" " H1'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.507 5.582 3 C5'-C4'-O4' 153.969 27.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.546 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.357 -8.075 4 C5'-C4'-O4' 146.452 23.158 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.577 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.464 1.643 3 C5'-C4'-O4' 118.032 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.49 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.519 6.641 3 C5'-C4'-O4' 136.006 16.629 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.285 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.631 16.815 3 C5'-C4'-O4' 151.422 26.264 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 0.475 " H4'" ' OP1' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.09 -32.374 3 C5'-C4'-O4' 132.348 14.342 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.649 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.296 -13.612 4 C5'-C4'-O4' 146.526 23.204 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.649 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.135 -28.262 3 C5'-C4'-O4' 93.595 -9.878 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.493 " O5'" " C2'" ' B' ' 263' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.021 3 C5'-C4'-O4' 150.649 25.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.526 7.288 4 C5'-C4'-O4' 147.097 23.561 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.582 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.37 4 O4'-C4'-C3' 98.372 -7.228 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.582 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.553 9.755 3 O4'-C4'-C3' 94.894 -10.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.468 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.429 -1.57 4 C5'-C4'-O4' 138.363 18.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.474 H5'' ' N ' ' A' ' 72' ' ' GLY . . . . . . . . 1 O4'--C4' 1.394 -4.743 3 C5'-C4'-O4' 121.718 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.513 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.553 9.735 3 C5'-C4'-O4' 153.144 27.34 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.497 ' N7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.603 14.318 3 O4'-C4'-C3' 93.452 -12.148 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.488 ' H72' ' C8 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.49 4.001 3 C5'-C4'-O4' 128.095 11.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.411 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.541 8.609 3 C5'-C4'-O4' 137.421 17.513 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.664 ' N6 ' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.564 10.707 3 C5'-C4'-O4' 138.482 18.176 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.461 ' H71' H2'' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.577 11.954 3 C5'-C4'-O4' 153.7 27.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.179 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.821 34.06 3 O4'-C4'-C3' 80.135 -25.465 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.569 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -3.026 4 C5'-C4'-O4' 87.742 -13.536 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.569 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.554 9.785 3 C5'-C4'-O4' 140.062 19.163 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.414 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.367 -7.212 4 C5'-C4'-O4' 146.154 22.971 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.615 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.413 -3.017 4 O4'-C4'-C3' 101.043 -4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.615 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.599 13.869 2 O4'-C4'-C3' 93.161 -12.439 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.239 -18.826 3 C5'-C4'-O4' 95.829 -8.482 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 2' ' ' VAL . 10.3 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER 177.22 174.8 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.03 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.94 40.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.81 161.18 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.669 ' HA ' ' P ' ' B' ' 256' ' ' ' DA' . 13.6 p -67.62 113.78 5.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.5 m-85 -56.08 -37.18 68.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.967 HG22 ' OD1' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -40.01 -36.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -82.61 -54.91 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' TYR . 5.9 mt -47.07 -33.27 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.697 HG21 ' HA ' ' A' ' 55' ' ' LEU . 46.8 mm -79.87 -44.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 87' ' ' PHE . 1.2 m -45.16 -44.87 11.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 7.6 ptt? -82.05 -37.34 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -56.14 -32.27 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.042 HG21 HD13 ' A' ' 79' ' ' LEU . 24.1 mm -86.26 -51.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.75 -40.9 73.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp0? -40.05 -37.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -74.67 112.77 18.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.94 -0.26 9.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -120.72 19.59 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 35.4 54.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 136.05 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 29' ' ' ILE . 1.7 pt? -170.21 -177.28 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.4 p -117.57 135.4 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -48.9 -46.12 42.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.438 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 31.1 t -48.72 -49.76 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -27.39 58.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.41 -49.75 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -50.44 -43.36 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.31 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 13.7 t80 -62.18 -31.33 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 32' ' ' PHE . 49.5 mm -82.32 -44.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -59.26 -55.82 29.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -48.96 -34.06 12.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -72.81 -52.76 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.13 122.32 32.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.611 ' CG ' ' N ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -55.13 -36.75 66.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 3.0 m-85 -64.44 -40.25 95.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.03 -23.51 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -58.0 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' PHE . 8.5 ttpt -69.49 -56.33 7.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 1.2 t80 31.46 64.69 1.05 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 -23.05 14.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 174.85 54.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 5.4 m95 -70.33 -3.54 17.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -67.76 -75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 50' ' ' SER . 21.1 p30 -75.02 -28.52 60.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.505 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 41.5 t -57.39 -57.58 12.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 5.3 mt -64.58 -53.85 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -49.56 -38.3 30.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.674 ' CD2' ' O4 ' ' B' ' 257' ' ' ' DT' . 2.9 t-80 -61.46 -56.5 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 28.6 m120 -69.58 -8.51 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.697 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -83.13 -57.95 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -82.02 -48.58 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.024 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.614 HD22 ' NE2' ' A' ' 53' ' ' HIS . 1.3 tp -68.72 79.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.967 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 160.44 -49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.583 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -79.37 -64.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.8 t 95.34 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.81 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -117.79 -163.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.48 154.39 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 179.49 6.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' OE2' ' A' ' 67' ' ' GLU . 9.3 mm -119.8 118.55 31.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 -171.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PRO . 6.1 mt-10 -113.12 166.68 10.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.2 Cg_endo -75.0 58.72 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.75 -75.78 1.17 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.76 124.82 11.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.58 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.54 -93.56 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.9 OUTLIER -143.14 55.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' N ' ' OP1' ' C' ' 353' ' ' ' DT' . . . -130.51 137.02 9.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 25' ' ' THR . 53.5 p-10 -162.0 -165.75 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 35.9 m-85 -135.4 144.67 46.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 7.2 m95 -137.74 142.48 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 59.1 m -140.89 137.48 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.042 HD13 HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -120.11 147.09 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.08 164.07 24.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.35 3.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' SER . 10.3 pt20 -121.91 -39.86 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.706 ' CB ' HD11 ' A' ' 79' ' ' LEU . 15.3 t -52.95 -43.33 66.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.79 -53.31 59.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.29 -37.72 84.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -60.3 -43.42 96.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.807 ' CE2' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER -67.76 -53.28 28.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -47.04 -49.45 21.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -56.17 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.3 46.68 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' C ' HD12 ' A' ' 93' ' ' LEU . 29.6 m-85 -133.73 -42.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.612 HD12 ' C ' ' A' ' 92' ' ' PHE . 3.3 mp 71.32 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' NH1' ' NH1' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -70.13 -153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' CZ ' ' NH2' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -112.5 39.49 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.89 -45.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -61.36 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.581 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.556 10.009 3 O4'-C4'-C3' 91.951 -13.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.576 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.472 2.402 4 C5'-C4'-O4' 95.109 -8.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 1.222 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.641 17.735 3 C5'-C4'-O4' 155.089 28.556 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.558 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.517 4 C5'-C4'-O4' 134.777 15.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . 0.412 ' N3 ' ' HD2' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.514 6.162 4 C5'-C4'-O4' 152.761 27.101 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.582 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.106 -30.931 3 C5'-C4'-O4' 137.957 17.848 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.582 " H4'" " H1'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.542 8.768 3 C5'-C4'-O4' 153.538 27.586 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.778 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.091 -32.297 3 C1'-O4'-C4' 121.83 8.664 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 1.199 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.558 3 C5'-C4'-O4' 154.094 27.934 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.797 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.105 -30.978 3 C5'-C4'-O4' 139.663 18.915 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.877 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.101 -31.352 3 C5'-C4'-O4' 139.644 18.903 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.238 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.733 26.074 3 C5'-C4'-O4' 158.355 30.597 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.387 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.637 17.404 3 C5'-C4'-O4' 150.154 25.471 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.508 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.596 13.616 3 C5'-C4'-O4' 154.896 28.435 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.508 ' H71' H2'' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.582 12.335 3 C5'-C4'-O4' 148.6 24.5 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.496 4.566 4 C5'-C4'-O4' 134.552 15.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.437 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.549 9.374 4 C5'-C4'-O4' 150.664 25.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.505 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.484 4 C5'-C4'-O4' 129.977 12.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.505 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.575 11.685 3 O4'-C4'-C3' 94.12 -11.48 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.578 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.496 4.555 4 C5'-C4'-O4' 138.121 17.95 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.578 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.064 1 O4'-C1'-N19 111.174 4.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.493 ' OP1' ' N ' ' A' ' 74' ' ' GLY . . . . . . . . 1 O4'--C4' 1.567 11.012 3 C5'-C4'-O4' 152.398 26.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.573 ' C2 ' ' C2 ' ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.57 11.24 3 O4'-C4'-C3' 94.867 -10.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.556 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.504 5.267 3 C5'-C4'-O4' 135.745 16.466 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.436 4 C5'-C4'-O4' 137.204 17.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.16 3 C5'-C4'-O4' 134.129 15.456 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 1.191 " O4'" " C4'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.681 21.336 3 C5'-C4'-O4' 156.96 29.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.725 " H2'" ' H72' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.246 3 C5'-C4'-O4' 139.144 18.59 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.725 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.555 9.944 3 O4'-C4'-C3' 89.514 -16.086 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.374 4 C5'-C4'-O4' 140.95 19.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.333 -10.28 4 C5'-C4'-O4' 143.528 21.33 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.574 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.545 3 O4'-C4'-C3' 101.214 -4.386 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.574 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.619 15.733 3 O4'-C4'-C3' 93.534 -12.066 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.227 -19.873 3 C5'-C4'-O4' 96.361 -8.149 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HG2' ' CD ' ' A' ' 4' ' ' PRO . 4.4 mttp -176.6 174.8 0.68 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.0 142.87 28.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.1 Cg_endo -74.99 136.92 21.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -71.14 -175.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.611 ' HA ' ' OP2' ' B' ' 256' ' ' ' DA' . 82.9 p -68.36 108.96 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.751 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.6 m-85 -52.38 -31.24 32.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.613 HG22 ' OD1' ' A' ' 58' ' ' ASN . 1.5 pp -58.97 -36.54 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.73 -41.63 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.5 mp -64.99 -48.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.848 HG21 ' CD1' ' A' ' 87' ' ' PHE . 22.0 m -50.1 -37.27 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ttp -79.95 -28.14 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HD13 ' A' ' 24' ' ' LEU . . . -72.39 -29.02 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.047 HD12 HD21 ' A' ' 24' ' ' LEU . 1.7 tp -87.42 -32.8 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -75.8 -34.57 60.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp0? -52.13 -37.6 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -74.23 110.82 10.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 -3.83 14.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.78 29.23 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 21' ' ' GLN . 1.4 mppt? 34.77 60.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 7.5 tttt -165.81 137.1 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.047 HD21 HD12 ' A' ' 16' ' ' ILE . 1.7 pt? -161.43 172.05 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ASN . 20.6 p -121.81 123.93 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -45.56 -42.07 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.528 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 4.6 m -65.49 -56.88 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.61 52.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.843 HG12 HD12 ' A' ' 24' ' ' LEU . 1.2 mp -69.13 -46.1 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.34 57.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.96 -41.72 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.94 -29.1 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' CD1' ' A' ' 37' ' ' PHE . 3.6 mt -82.29 -55.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 p -45.08 -33.27 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.952 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.65 -47.27 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -66.79 -57.36 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 33' ' ' ILE . 1.1 m-85 -102.51 110.5 63.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.94 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 40' ' ' TYR . 50.2 p90 -53.69 -33.47 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -61.01 -40.2 92.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -75.81 -17.58 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.2 mm-40 -72.51 -50.66 24.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -76.66 -50.33 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' TRP . 3.4 t80 16.73 64.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.04 -16.42 20.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 169.84 57.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.3 m95 -77.26 6.53 6.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 46' ' ' ALA . 1.3 tt0 -78.48 -76.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 50' ' ' SER . 22.6 p30 -74.94 -27.19 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.533 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 18.2 t -52.47 -58.1 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.623 HG13 ' N ' ' A' ' 52' ' ' ARG . 3.2 pt -71.96 -47.61 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -47.92 -35.55 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.606 ' CD2' HD13 ' A' ' 57' ' ' LEU . 1.2 t-80 -72.81 -54.98 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' OD1' ' C7 ' ' B' ' 257' ' ' ' DT' . 4.8 m120 -65.4 -10.93 37.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -82.85 -59.74 2.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 7.0 t -76.04 -50.43 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.942 HD11 ' H72' ' C' ' 356' ' ' ' DT' . 4.9 mp -74.29 78.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.613 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 157.23 -52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -73.46 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER 92.73 52.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.759 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -121.49 -169.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.45 146.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.37 -179.26 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -119.39 119.33 31.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB3' " C5'" ' C' ' 354' ' ' ' DG' . 18.3 Cg_endo -74.95 179.49 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.76 163.54 34.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.3 Cg_endo -75.0 57.49 4.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.57 -75.95 1.32 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -135.79 139.31 30.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -80.57 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 53.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.85 118.86 6.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 8.8 p-10 -164.78 162.33 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.506 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.0 m-85 -129.67 148.46 51.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.643 ' CZ3' ' HG2' ' A' ' 63' ' ' LYS . 10.6 m95 -134.31 129.54 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 44.1 p -125.05 132.97 53.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.759 HD12 ' HD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -116.3 156.73 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -66.7 146.41 99.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.95 3.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 177.78 35.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.745 ' HB3' HD21 ' A' ' 79' ' ' LEU . 13.6 p -81.61 -34.33 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -51.95 55.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.433 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t0 -56.58 -31.66 64.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -48.18 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.848 ' CD1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -67.53 -53.58 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.38 -48.69 73.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 85' ' ' ASP . 14.8 m-20 -45.28 -49.68 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.03 -55.07 5.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.97 34.78 23.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 11.1 m-85 -121.37 -30.03 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.33 -73.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.576 ' HD3' ' HB2' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -179.02 155.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.576 ' HB2' ' HD3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 76.31 70.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -143.85 -56.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 1.5 pttm -144.75 97.88 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' CG ' ' OP1' ' C' ' 364' ' ' ' DG' . 33.3 mmm-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.534 7.974 4 O4'-C4'-C3' 92.388 -13.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.596 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.847 4 C5'-C4'-O4' 94.121 -9.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 1.267 " C4'" " O4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.653 18.792 3 C5'-C4'-O4' 150.505 25.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.455 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.52 6.734 4 C5'-C4'-O4' 138.442 18.151 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.536 8.155 4 C5'-C4'-O4' 151.377 26.236 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.655 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.075 -33.758 3 C5'-C4'-O4' 137.102 17.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.183 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.697 22.815 3 C5'-C4'-O4' 158.09 30.431 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.278 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.73 25.781 3 O4'-C4'-C3' 87.206 -18.394 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 1.261 " C4'" " O4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.671 20.471 3 C5'-C4'-O4' 152.648 27.03 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.58 ' N7 ' ' C2 ' ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.549 9.344 4 C5'-C4'-O4' 142.032 20.395 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 1.295 " C4'" " O4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.635 17.21 3 C5'-C4'-O4' 155.031 28.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.139 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.826 34.568 3 C5'-C4'-O4' 156.941 29.713 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.336 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.662 19.648 3 C5'-C4'-O4' 153.136 27.335 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.47 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.603 14.309 3 C5'-C4'-O4' 153.658 27.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.47 ' H71' H2'' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.623 16.064 3 C5'-C4'-O4' 149.113 24.82 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.521 6.838 4 C5'-C4'-O4' 128.194 11.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.446 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.528 7.45 4 C5'-C4'-O4' 146.63 23.269 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.467 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.634 4 C5'-C4'-O4' 127.247 11.155 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.467 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.586 12.742 3 O4'-C4'-C3' 94.077 -11.523 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.524 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.484 3.427 3 C5'-C4'-O4' 126.925 10.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.526 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.505 5.351 3 C5'-C4'-O4' 121.511 7.569 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.526 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.609 14.779 3 C5'-C4'-O4' 149.018 24.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.544 ' N7 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.626 16.375 3 C5'-C4'-O4' 144.174 21.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.524 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.504 5.318 3 C5'-C4'-O4' 132.449 14.405 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.942 ' H72' HD11 ' A' ' 57' ' ' LEU . . . . . . . . 0 O4'--C4' 1.481 3.17 4 C5'-C4'-O4' 140.841 19.65 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.621 " H4'" ' OP1' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.11 -30.59 3 C5'-C4'-O4' 131.991 14.119 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.621 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.523 6.967 3 C5'-C4'-O4' 154.95 28.468 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.142 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.837 35.518 3 O4'-C4'-C3' 79.108 -26.492 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.553 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.327 -10.837 3 C5'-C4'-O4' 91.155 -11.403 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.481 ' H71' " C2'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.524 7.12 4 C5'-C4'-O4' 144.982 22.239 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.466 4 C5'-C4'-O4' 149.728 25.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.574 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.382 -5.852 2 C1'-O4'-C4' 116.458 4.827 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.574 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.629 16.664 3 O4'-C4'-C3' 92.758 -12.842 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.195 -22.798 3 C1'-O4'-C4' 120.843 7.959 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.61 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -106.57 -65.51 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.98 115.59 4.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.575 1.829 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB2' ' OP1' ' B' ' 257' ' ' ' DT' . 18.2 Cg_endo -74.98 129.48 12.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -120.21 155.85 32.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.457 ' HB2' ' P ' ' B' ' 256' ' ' ' DA' . 0.4 OUTLIER -70.5 152.13 44.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' ILE . 45.1 m-85 -87.7 -8.77 55.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.518 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.2 pp -38.98 -43.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -60.14 -50.89 71.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 37' ' ' PHE . 7.0 mt -59.81 -33.18 71.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 55' ' ' LEU . 20.3 mm -65.07 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.649 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.3 p -45.18 -38.52 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 22.8 ttp -78.54 -27.09 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -70.76 -36.71 73.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 55' ' ' LEU . 1.9 mp -81.75 -33.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -75.44 -44.87 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.0 pp0? -60.96 -15.4 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 p -124.66 68.35 52.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 -9.99 20.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.81 -5.91 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.88 74.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.73 118.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.879 HD23 HD11 ' A' ' 29' ' ' ILE . 2.7 mp -123.52 175.62 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 ' H ' HD12 ' A' ' 29' ' ' ILE . 1.7 t -166.88 114.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.865 HD11 ' NH2' ' A' ' 52' ' ' ARG . 2.6 tm? -45.58 -42.67 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 33.3 p -57.06 -51.47 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.45 -28.12 71.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.879 HD11 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.33 -59.03 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.0 t -56.09 -35.91 67.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.07 -23.34 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -31.55 37.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.542 HG23 ' CE1' ' A' ' 37' ' ' PHE . 25.7 mt -80.92 -55.15 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.8 p -43.72 -38.78 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.39 -35.26 62.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.602 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 4.8 mmt180 -78.35 -40.78 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -128.01 106.87 20.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.767 ' CD2' HG13 ' A' ' 2' ' ' VAL . 1.1 t80 -51.69 -40.74 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -61.32 -40.64 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.95 -16.11 58.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -45.59 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -44.81 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 46' ' ' ALA . 17.1 t80 52.78 73.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 34.52 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 65.64 57.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CE3' HD13 ' A' ' 51' ' ' ILE . 9.4 p-90 -90.33 -5.55 56.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.3 pp0? -55.38 -37.48 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 26.9 m-20 -78.69 -31.32 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 10.9 m -61.93 -54.36 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD13 ' CE3' ' A' ' 47' ' ' TRP . 2.5 pt -65.37 -57.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.865 ' NH2' HD11 ' A' ' 26' ' ' LEU . 32.3 mtt180 -50.07 -38.64 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 20.6 t-80 -67.59 -56.69 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -63.62 -10.64 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -82.46 -57.33 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -51.12 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.3 mm? -74.21 77.28 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.02 -52.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -80.07 -63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 91.32 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 79' ' ' LEU . 3.3 p90 -125.77 -158.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.782 HG23 ' HB ' ' A' ' 78' ' ' THR . 29.9 m -116.6 162.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -148.44 167.16 26.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.3 tt -116.0 122.39 32.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.4 Cg_endo -74.94 -177.2 3.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -43.61 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.92 162.27 52.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.31 4.35 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.91 53.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 2.6 m120 -115.43 89.45 21.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.73 4.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 105.23 -55.92 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.53 59.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -113.09 67.4 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 4.0 p30 -138.47 170.21 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.95 153.95 31.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CZ2' ' HB2' ' A' ' 26' ' ' LEU . 29.2 m0 -116.86 176.26 5.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.782 ' HB ' HG23 ' A' ' 62' ' ' VAL . 18.9 m -143.78 144.72 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -119.92 159.93 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -86.67 156.55 55.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.97 84.63 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER 166.66 43.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.432 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.5 t -77.19 -45.98 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.18 -49.3 76.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.47 94.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.404 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 19.8 ttp -62.23 -45.25 94.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' HG22 ' A' ' 13' ' ' THR . 3.4 m-85 -88.56 20.94 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.0 -59.34 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.36 -51.94 8.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.68 4.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.7 p -151.78 -45.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.12 101.66 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 95' ' ' ARG . 0.5 OUTLIER -82.19 47.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.462 ' HD3' " H4'" ' C' ' 363' ' ' ' DA' . 0.0 OUTLIER -166.22 -67.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.95 -50.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.95 116.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' NH1' ' OP2' ' B' ' 256' ' ' ' DA' . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.412 H2'' " H5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.469 2.066 3 O4'-C4'-C3' 95.759 -9.841 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.562 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.31 -12.322 3 C1'-O4'-C4' 119.289 6.85 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.562 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.713 3 C5'-C4'-O4' 129.169 12.356 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.463 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.465 1.725 4 C5'-C4'-O4' 131.028 13.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.527 7.358 4 C5'-C4'-O4' 149.375 24.984 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.703 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.078 -33.44 3 C5'-C4'-O4' 126.933 10.958 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.344 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.665 19.909 3 C5'-C4'-O4' 146.233 23.021 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.472 ' OP2' ' NH1' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.521 6.794 4 C5'-C4'-O4' 146.226 23.016 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.574 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.568 11.086 3 C5'-C4'-O4' 146.578 23.236 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.819 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.514 6.192 4 C5'-C4'-O4' 147.588 23.867 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.547 " H4'" ' OP1' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.099 -31.515 3 C5'-C4'-O4' 128.673 12.046 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 0.547 ' OP1' " H4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.543 8.821 3 C5'-C4'-O4' 156.339 29.337 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 0.416 ' OP2' H2'' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.507 5.59 4 C5'-C4'-O4' 149.207 24.88 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.564 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 139.892 19.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.564 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.082 -33.108 3 C5'-C4'-O4' 136.72 17.075 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.6 " H1'" " H4'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.076 -33.636 3 C5'-C4'-O4' 137.097 17.311 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.6 " H4'" " H1'" ' B' ' 264' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.409 3 C5'-C4'-O4' 150.133 25.458 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.411 -3.143 4 O4'-C4'-C3' 97.869 -7.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.504 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.581 12.276 3 O4'-C4'-C3' 93.758 -11.842 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.523 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.389 -5.14 4 C5'-C4'-O4' 131.957 14.098 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.523 ' H71' " C2'" ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.519 6.642 3 C5'-C4'-O4' 133.193 14.871 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.47 ' OP2' H2'' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.58 12.221 3 C5'-C4'-O4' 154.595 28.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.613 ' C8 ' ' H72' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.592 13.253 3 O4'-C4'-C3' 94.901 -10.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.613 ' H72' ' C8 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.502 5.095 4 C5'-C4'-O4' 142.013 20.383 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.442 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.345 -9.157 4 C5'-C4'-O4' 146.783 23.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.819 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.246 -18.178 2 C5'-C4'-O4' 94.856 -9.09 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.727 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.139 -27.895 3 C5'-C4'-O4' 91.982 -10.887 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.727 ' H72' " H2'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.167 -25.384 3 C5'-C4'-O4' 141.637 20.148 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.706 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.069 -34.25 3 C5'-C4'-O4' 87.466 -13.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.644 ' H72' " H2'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.325 -11.021 4 C5'-C4'-O4' 149.278 24.924 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.413 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.34 -9.676 4 C5'-C4'-O4' 134.592 15.745 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.59 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.394 -4.768 3 C1'-O4'-C4' 116.375 4.768 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.364 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.641 17.767 3 O4'-C4'-C3' 92.636 -12.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.223 -20.26 3 C5'-C4'-O4' 96.18 -8.262 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 19.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER 172.37 148.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.7 3.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.92 -57.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 5' ' ' PRO . 1.3 m-85 -141.7 172.36 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB3' H5'' ' B' ' 256' ' ' ' DA' . 99.6 p -69.04 -175.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 84.9 m-85 -82.82 -27.18 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 94' ' ' ARG . 1.2 pp -46.38 -43.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.26 86.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.8 mt -61.61 -23.95 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm -78.6 -57.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.917 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.2 p -46.69 -34.59 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -83.08 -38.51 22.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.34 -38.52 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 79' ' ' LEU . 39.6 mm -81.6 -52.3 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -50.78 -44.89 58.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.33 -27.87 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.844 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -115.34 86.18 14.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -89.38 16.59 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 34.66 68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -178.96 112.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -157.07 174.25 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 75' ' ' ASN . 54.5 m -120.36 128.09 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.644 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -51.19 -44.42 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.403 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -57.99 -56.23 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.52 -26.22 56.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.416 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -72.12 -49.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -55.43 -36.21 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.73 -36.77 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -67.25 -31.47 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 32' ' ' PHE . 6.4 mt -74.22 -58.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -54.29 -27.58 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.43 -52.27 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 4.0 mmm180 -65.67 -57.5 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 11' ' ' LEU . 16.5 m-85 -91.4 116.63 66.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.68 -42.36 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -65.8 -33.02 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -71.5 -42.66 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -11.8 59.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 10.1 mttp -142.5 72.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -112.86 76.09 2.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -75.02 41.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 63.18 59.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CD1' ' CD1' ' A' ' 44' ' ' PHE . 36.2 p-90 -82.09 6.13 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 1.6 pp0? -52.77 -45.18 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.545 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 89.9 m-20 -64.53 -37.77 88.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.3 m -66.55 -59.9 3.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 12' ' ' ILE . 2.1 tp -51.61 -60.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.65 -46.82 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.543 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 2.3 t-80 -54.8 -58.1 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.87 -8.94 32.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.667 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -79.46 -52.25 8.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.649 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.6 -48.06 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.56 76.3 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.23 -59.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 10.6 m-20 -80.84 -58.16 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.91 76.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -131.61 -163.86 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -117.53 145.46 23.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.79 176.61 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 7.5 mm -118.2 105.03 47.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.97 158.94 42.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -24.64 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.6 mt-10 -120.11 170.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' OD1' ' A' ' 70' ' ' ASN . . . 158.9 40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 69' ' ' GLY . 3.0 m-20 -135.71 76.98 52.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.4 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 95.5 -73.63 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.0 OUTLIER -143.88 61.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.81 76.21 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' CG ' HG23 ' A' ' 25' ' ' THR . 11.9 p-10 -109.91 -169.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.466 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 56.7 m-85 -148.57 142.18 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.6 m95 -134.8 135.21 41.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.5 m -127.74 136.06 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 80' ' ' ASP . 8.6 tt -118.24 167.93 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.915 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.2 m-20 -78.53 143.56 63.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.31 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 168.78 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' MET . 43.1 t -80.22 -48.09 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -32.1 69.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.89 -43.02 99.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -51.29 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -65.93 -51.28 59.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -49.4 70.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -59.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.9 -167.74 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.4 t -136.06 47.39 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 68.59 36.07 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.86 168.84 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.475 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 16.2 ttp85 176.03 78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.552 ' CZ ' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 168.7 -57.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 73.73 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.01 134.05 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' NH1' ' CZ ' ' A' ' 95' ' ' ARG . 9.8 ptm180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.488 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.531 7.719 3 C5'-C4'-O4' 99.436 -6.227 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.535 H2'' ' OP2' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.193 -22.985 3 C5'-C4'-O4' 97.101 -7.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.535 ' OP2' H2'' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.516 6.34 4 O4'-C4'-C3' 95.274 -10.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.501 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.502 -1.552 4 C5'-C4'-O4' 135.416 16.26 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.477 2.81 4 C5'-C4'-O4' 145.374 22.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.487 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.076 -33.659 3 C5'-C4'-O4' 137.516 17.572 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.814 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.889 3 C5'-C4'-O4' 141.436 20.022 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.28 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.704 23.418 3 C5'-C4'-O4' 158.357 30.598 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.543 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.535 8.098 3 C5'-C4'-O4' 155.34 28.712 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.524 4 C5'-C4'-O4' 148.28 24.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 1.348 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.653 18.842 3 C5'-C4'-O4' 136.982 17.239 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.163 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.733 26.08 3 C5'-C4'-O4' 158.983 30.99 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.259 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.636 17.308 3 C5'-C4'-O4' 150.955 25.972 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 1.329 " O4'" " C4'" ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.633 16.989 3 C5'-C4'-O4' 156.761 29.601 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.572 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.159 3 C5'-C4'-O4' 148.954 24.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.531 " H5'" ' CZ ' ' A' ' 66' ' ' ARG . . . . . . . . 0 O4'--C4' 1.477 2.84 4 C5'-C4'-O4' 133.604 15.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.567 11.008 3 C5'-C4'-O4' 139.358 18.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.483 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.041 4 O4'-C4'-C3' 95.648 -9.952 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.483 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.594 13.448 3 O4'-C4'-C3' 93.922 -11.678 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.488 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.402 -3.957 4 C5'-C4'-O4' 130.424 13.14 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.522 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.826 3 C5'-C4'-O4' 129.475 12.547 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.522 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.546 9.07 3 C5'-C4'-O4' 154.564 28.227 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.576 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.572 11.46 3 O4'-C4'-C3' 93.986 -11.614 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.508 5.657 3 C5'-C4'-O4' 128.473 11.92 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.475 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.491 4.073 3 C5'-C4'-O4' 130.365 13.103 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.528 H2'' ' H71' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.57 11.234 3 C5'-C4'-O4' 136.767 17.105 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.528 ' H71' H2'' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.606 4 C5'-C4'-O4' 150.039 25.399 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.174 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.825 34.443 3 O4'-C4'-C3' 79.505 -26.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.473 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.789 4 C5'-C4'-O4' 90.933 -11.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.467 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.55 9.428 4 C5'-C4'-O4' 148.31 24.319 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.404 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.322 -11.284 3 C5'-C4'-O4' 140.253 19.283 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.577 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.411 -3.149 3 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.577 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.621 15.895 3 O4'-C4'-C3' 92.993 -12.607 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.265 -16.418 3 C5'-C4'-O4' 94.229 -9.482 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.643 HG23 ' CG ' ' A' ' 39' ' ' TYR . 73.7 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.68 67.9 3.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.19 41.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -68.69 145.78 53.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' " H3'" ' B' ' 256' ' ' ' DA' . 51.2 p -76.43 -168.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 51' ' ' ILE . 40.7 m-85 -82.31 -22.15 35.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.927 HD11 ' OD1' ' A' ' 58' ' ' ASN . 3.7 tp -42.72 -38.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -67.44 -55.59 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 37' ' ' PHE . 41.9 mt -54.44 -35.89 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.711 HG13 HD13 ' A' ' 55' ' ' LEU . 1.6 mp -72.76 -39.41 59.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 23.8 m -52.76 -50.57 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 ptm -76.68 -23.92 53.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -63.17 -39.44 94.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.782 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -83.31 -38.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 1.5 mp -66.35 -50.0 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.6 pp0? -48.87 -27.81 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -117.37 73.14 7.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 -0.02 9.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 2.3 tt0 -69.6 -17.73 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 13.3 tttm 85.52 69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.83 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 mttt 179.28 128.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.83 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.3 mm? -127.54 170.37 12.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.59 ' H ' HD13 ' A' ' 29' ' ' ILE . 53.2 p -155.81 99.71 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -40.04 -40.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -66.3 -52.11 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.08 76.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 25' ' ' THR . 1.3 mp -70.87 -52.94 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t -55.83 -36.82 67.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -42.48 65.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.62 -28.86 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mm -80.74 -42.11 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -58.53 -49.93 75.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -39.42 78.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -72.13 -52.11 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 11' ' ' LEU . 54.6 m-85 -119.25 106.66 42.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' GLU . 18.2 Cg_endo -75.02 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CG ' HG23 ' A' ' 2' ' ' VAL . 3.6 m-85 -50.4 -40.86 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -43.41 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -15.71 55.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -76.23 -47.9 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.664 ' O ' ' N ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -112.53 31.15 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.4 t80 -20.48 82.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.98 39.91 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 58.6 59.45 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB2' ' A' ' 50' ' ' SER . 5.4 p-90 -95.83 31.38 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' OE1' ' ND2' ' A' ' 49' ' ' ASN . 8.7 tt0 -74.58 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.541 ' ND2' ' OE1' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -71.18 -22.24 62.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -58.68 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.549 ' HB ' HD11 ' A' ' 12' ' ' ILE . 38.9 pt -68.15 -47.01 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.653 ' CD ' ' H72' ' C' ' 355' ' ' ' DT' . 0.0 OUTLIER -55.05 -33.43 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.603 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 11.4 t-80 -68.93 -53.96 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -68.48 -12.12 60.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 16' ' ' ILE . 8.9 tp -83.47 -56.84 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -82.02 -50.25 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -73.69 75.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.927 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 158.64 -47.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -80.74 -44.67 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.9 m 66.21 61.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -118.53 -159.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 78' ' ' THR . 7.4 t -120.04 149.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -137.0 169.7 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.6 tt -118.15 129.77 25.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.96 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -45.28 115.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -89.94 140.64 27.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.03 -18.75 18.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 -58.19 14.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.11 114.8 7.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.4 Cg_endo -75.01 -92.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 17.16 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 71' ' ' PRO . 2.6 mtmp? -140.12 37.73 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.3 105.26 3.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.542 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.3 p-10 -157.6 163.06 38.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -151.79 148.35 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 19.3 m0 -118.1 150.3 39.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.054 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.545 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m -121.11 138.6 54.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.1 tt -117.13 148.0 41.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.75 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -91.03 167.91 14.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.07 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 164.88 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -56.11 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -49.13 76.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.26 -40.07 84.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.9 -51.06 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 9.8 m-85 -68.35 -33.37 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.7 32.16 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.95 -56.02 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.84 -122.13 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.42 56.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -175.54 64.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.3 -83.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -177.62 47.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.458 ' NH1' H5'' ' B' ' 255' ' ' ' DA' . 33.7 mmt-85 -130.28 -63.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER 51.12 84.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 35.95 63.29 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.752 ' NH2' " H4'" ' B' ' 255' ' ' ' DA' . 17.2 ttt180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 1.345 " O4'" " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.637 17.402 3 C5'-C4'-O4' 90.577 -11.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.697 " H2'" ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.074 -33.841 3 C1'-O4'-C4' 123.316 9.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.697 ' H72' " H2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.35 3 C5'-C4'-O4' 152.267 26.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.543 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.462 4 C5'-C4'-O4' 121.756 7.722 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.512 4 C5'-C4'-O4' 143.63 21.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 1.27 " O4'" " C4'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.684 21.602 3 C5'-C4'-O4' 147.739 23.962 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.752 " H4'" ' NH2' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.104 -31.066 3 C5'-C4'-O4' 139.236 18.648 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.173 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.696 22.767 3 C5'-C4'-O4' 160.065 31.666 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.74 ' H72' ' C8 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.081 4 C5'-C4'-O4' 151.209 26.131 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.678 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.458 4 C5'-C4'-O4' 143.931 21.582 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 1.291 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.638 17.471 3 C5'-C4'-O4' 136.683 17.052 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.247 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.736 26.322 3 C5'-C4'-O4' 160.15 31.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.27 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.641 17.695 3 C5'-C4'-O4' 143.921 21.575 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.417 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.493 4.262 3 C5'-C4'-O4' 131.123 13.577 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.209 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.698 22.943 3 C5'-C4'-O4' 156.316 29.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.547 ' OP2' H2'' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.081 -33.185 3 C5'-C4'-O4' 132.905 14.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.446 ' OP1' " H4'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.199 -22.453 4 C5'-C4'-O4' 144.111 21.694 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.46 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.443 4 C5'-C4'-O4' 133.303 14.939 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.552 9.665 3 O4'-C4'-C3' 95.209 -10.391 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.565 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 137.213 17.383 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.565 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.375 -6.486 2 C1'-O4'-C4' 116.019 4.514 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.502 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.577 11.931 3 C5'-C4'-O4' 155.947 29.092 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.58 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.607 14.602 3 O4'-C4'-C3' 92.01 -13.59 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.653 ' H72' ' CD ' ' A' ' 52' ' ' ARG . . . . . . . . 0 O4'--C4' 1.478 2.915 3 C5'-C4'-O4' 134.763 15.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.583 ' C7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.462 4 C5'-C4'-O4' 147.143 23.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.678 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.359 -7.908 4 C5'-C4'-O4' 146.114 22.946 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.768 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.152 -26.737 3 C5'-C4'-O4' 88.95 -12.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.958 " H2'" ' H71' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.139 -27.946 3 C5'-C4'-O4' 141.336 19.96 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.958 ' H71' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.527 7.377 3 O4'-C4'-C3' 89.955 -15.645 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.451 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.486 3.658 4 C5'-C4'-O4' 143.307 21.192 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.291 -14.1 3 C5'-C4'-O4' 139.294 18.684 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.428 -1.672 3 O4'-C4'-C3' 101.12 -4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.255 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.648 18.341 3 O4'-C4'-C3' 92.676 -12.924 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.245 -18.271 3 C5'-C4'-O4' 95.377 -8.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 3' ' ' LYS . 31.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.667 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 11.7 tptp -94.45 -51.3 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.02 169.98 21.42 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 33.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.857 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -124.5 94.05 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 m -81.67 -149.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 50' ' ' SER . 99.1 m-85 -63.52 -45.98 88.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.775 HD11 ' OD1' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -38.81 -47.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.857 ' HB1' ' CD2' ' A' ' 6' ' ' TYR . . . -57.63 -49.79 75.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.5 mm? -59.24 -34.05 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.94 HD12 ' HG ' ' A' ' 55' ' ' LEU . 33.5 mm -69.24 -60.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 9' ' ' ILE . 68.7 p -41.49 -38.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mmm -77.16 -37.03 54.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB1' ' CG1' ' A' ' 29' ' ' ILE . . . -64.91 -30.92 71.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 HD13 HD11 ' A' ' 24' ' ' LEU . 33.0 mm -86.06 -51.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 13' ' ' THR . 3.2 mp -55.6 -48.45 74.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.5 pp0? -48.97 -24.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 p -120.31 72.88 20.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -74.99 -5.36 16.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.4 tt0 -69.29 -94.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 174.72 69.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -178.79 127.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 16' ' ' ILE . 1.8 mm? -124.48 160.63 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.3 m -154.13 113.02 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.0 tm? -55.3 -56.81 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -49.8 -52.13 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.953 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 -37.13 92.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.632 ' CG1' ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -63.74 -59.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 29' ' ' ILE . 53.4 t -45.0 -41.0 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 108.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -44.37 86.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.11 -18.66 64.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.725 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 39.3 mm -79.97 -51.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.5 p -60.4 -50.58 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -45.16 81.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 7.4 mmm180 -66.73 -49.72 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -127.33 118.72 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -51.21 -38.34 51.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.645 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 11.9 m-30 -62.35 -40.69 97.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -9.4 59.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -52.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 44' ' ' PHE . 1.3 ttmp? -78.44 -54.34 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 2.0 t80 26.38 62.94 0.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -75.0 -10.83 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 163.47 55.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CZ3' HG21 ' A' ' 33' ' ' ILE . 5.7 m95 -76.51 -2.11 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.56 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -79.0 -54.95 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.56 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.32 -38.64 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.846 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 50.9 m -60.2 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.619 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 14.8 mm -53.72 -61.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 12.8 mtm-85 -48.86 -36.11 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.643 ' CE1' ' N7 ' ' B' ' 256' ' ' ' DA' . 1.6 t-80 -65.04 -60.59 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.46 ' CB ' HG13 ' A' ' 12' ' ' ILE . 13.0 m120 -67.16 -10.06 46.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.94 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -82.95 -57.17 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.78 -49.77 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' NE2' ' A' ' 53' ' ' HIS . 1.9 tt -73.95 76.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.775 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER 162.41 -62.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 27.2 m-20 -66.84 -60.8 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 87.12 55.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.789 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -118.11 -163.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m -116.78 151.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 3.7 mtmm -132.85 167.29 20.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.881 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.1 tt -114.68 121.03 36.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -75.03 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 116.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.33 163.88 16.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.25 3.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.95 46.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 1.4 m-20 -119.6 93.86 47.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.4 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.426 ' HA2' ' P ' ' C' ' 352' ' ' ' DT' . . . 92.65 -41.19 2.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 13.6 mttt -144.14 65.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -133.81 74.99 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.722 ' O ' HG23 ' A' ' 25' ' ' THR . 33.7 p-10 -137.96 -173.35 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.881 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -161.91 151.98 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 21.3 m0 -119.95 175.81 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.994 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 39.1 m -145.58 124.03 12.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 ' HD2' ' A' ' 61' ' ' PHE . 4.5 tt -114.93 153.43 30.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.98 146.54 55.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG3' ' CE ' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 78.37 2.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 179.31 40.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -80.26 -39.1 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.52 -45.09 81.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -42.4 92.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.19 -36.44 75.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.502 ' CZ ' HG22 ' A' ' 13' ' ' THR . 3.8 m-85 -69.55 -55.3 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.8 -50.81 60.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -81.43 78.4 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.73 113.05 3.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.9 p -95.91 27.03 3.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 91' ' ' SER . 62.8 m-85 -157.99 -60.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER 37.11 86.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 5.6 ttp180 -106.89 40.99 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -144.09 -66.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -179.15 -44.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ARG . 5.6 mtpt -130.91 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.628 ' NH2' HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.237 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.512 " H1'" ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.75 3 C5'-C4'-O4' 86.532 -14.293 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.652 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.41 4 C5'-C4'-O4' 97.51 -7.431 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.652 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.611 14.958 3 C5'-C4'-O4' 152.789 27.118 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.476 4 C5'-C4'-O4' 148.339 24.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.511 4 C5'-C4'-O4' 148.911 24.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.515 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.106 -30.865 2 C1'-O4'-C4' 120.995 8.068 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.236 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.741 26.831 3 O4'-C4'-C3' 80.418 -25.182 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 1.324 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.651 18.677 3 C5'-C4'-O4' 152.695 27.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.846 ' H72' ' HA ' ' A' ' 50' ' ' SER . . . . . . . . 1 O4'--C4' 1.329 -10.679 4 C5'-C4'-O4' 148.176 24.235 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.505 " C2'" " O5'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.91 3 C5'-C4'-O4' 96.386 -8.134 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.616 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.082 -33.05 3 C5'-C4'-O4' 134.87 15.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 0.616 " H4'" " H1'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.504 5.255 3 C5'-C4'-O4' 152.782 27.114 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.492 4.187 3 O4'-C4'-C3' 99.123 -6.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.414 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.524 7.079 3 C5'-C4'-O4' 135.937 16.585 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.248 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.642 17.773 3 C5'-C4'-O4' 154.19 27.994 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.61 4 C5'-C4'-O4' 150.019 25.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.541 8.643 4 C5'-C4'-O4' 138.525 18.203 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.506 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.875 4 O4'-C4'-C3' 96.028 -9.572 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.506 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.562 10.577 3 O4'-C4'-C3' 95.128 -10.472 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.5 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.468 2.02 4 C5'-C4'-O4' 139.085 18.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.5 ' H71' " C2'" ' C' ' 351' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.447 3 C5'-C4'-O4' 119.1 6.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.442 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.5 4.868 4 C5'-C4'-O4' 150.982 25.989 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 1.3 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.641 17.75 3 O4'-C4'-C3' 93.011 -12.589 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.473 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.589 13.023 3 C5'-C4'-O4' 143.088 21.055 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.473 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.532 7.782 4 C5'-C4'-O4' 148.185 24.24 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.492 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.523 7.025 3 C5'-C4'-O4' 138.507 18.192 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.7 " H4'" ' OP1' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.126 -29.096 3 C5'-C4'-O4' 130.58 13.237 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 0.959 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 2.054 55.245 3 O4'-C4'-C3' 72.037 -33.563 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.616 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.48 3.129 4 O4'-C4'-C3' 95.825 -9.775 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.413 H2'' ' OP2' ' C' ' 362' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.531 7.71 3 C5'-C4'-O4' 137.845 17.778 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . 0.413 ' OP2' H2'' ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.386 -5.413 4 C5'-C4'-O4' 147.493 23.808 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.562 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.386 -5.427 2 C1'-O4'-C4' 116.108 4.577 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 1.331 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.631 16.808 2 O4'-C4'-C3' 92.6 -13.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.279 -15.146 3 C5'-C4'-O4' 94.152 -9.53 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.768 HG13 ' CG ' ' A' ' 39' ' ' TYR . 58.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -36.78 137.07 0.57 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HG2' ' CZ ' ' A' ' 6' ' ' TYR . 18.1 Cg_endo -75.04 178.87 6.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.0 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CZ ' ' HG2' ' A' ' 4' ' ' PRO . 5.8 m-30 -112.61 167.02 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.68 ' HA ' ' OP1' ' B' ' 256' ' ' ' DA' . 1.9 p -68.86 97.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CZ ' ' CZ2' ' A' ' 47' ' ' TRP . 4.9 m-30 -45.51 -44.0 12.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.012 ' O ' HG23 ' A' ' 13' ' ' THR . 16.8 pt -45.72 -41.8 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.01 -56.34 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.593 HD13 ' CE2' ' A' ' 37' ' ' PHE . 51.8 mt -55.96 -25.94 45.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -51.38 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 1.012 HG23 ' O ' ' A' ' 9' ' ' ILE . 45.7 p -48.93 -39.5 26.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 8.9 ptm -78.11 -28.76 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . . . -74.2 -29.33 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.764 HD12 ' HG ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.55 -33.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 84' ' ' GLU . 2.2 mp -68.35 -24.07 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -67.07 -23.45 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -118.7 73.07 11.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 -3.92 14.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.42 -0.96 24.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 79' ' ' LEU . 1.2 ttpp 71.48 65.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.4 pttt -172.36 127.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.764 ' HG ' HD12 ' A' ' 16' ' ' ILE . 4.0 mm? -133.81 173.17 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 75' ' ' ASN . 81.6 m -156.85 107.09 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -42.66 -46.49 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 34.0 t -57.67 -52.6 64.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' PHE . . . -64.91 -22.7 68.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.691 HD13 HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -78.18 -45.84 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -60.96 -33.64 73.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -41.1 27.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.6 -34.54 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.835 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.1 mt -83.91 -47.7 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 m -53.33 -44.71 68.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.62 -43.45 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -68.53 -38.32 80.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 11' ' ' LEU . 3.2 m-85 -118.48 104.04 48.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.05 -36.91 2.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.768 ' CG ' HG13 ' A' ' 2' ' ' VAL . 4.0 t80 -67.07 -40.0 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -65.05 -52.65 54.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.625 ' HA ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.95 -15.32 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -77.01 -49.7 14.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -78.63 -48.72 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.686 ' CE1' ' CB ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 24.28 64.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.538 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -74.94 -12.91 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 173.15 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.851 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 2.1 m95 -70.12 -6.49 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 6.6 tt0 -70.34 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.527 ' HA ' ' CD ' ' A' ' 52' ' ' ARG . 80.2 m-20 -76.69 -25.29 53.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.579 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 2.4 m -63.78 -59.44 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.851 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 6.6 tp -63.25 -56.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NH1' ' C8 ' ' C' ' 354' ' ' ' DG' . 0.2 OUTLIER -48.5 -37.28 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.843 ' CE1' HD22 ' A' ' 57' ' ' LEU . 31.9 t60 -64.38 -56.61 13.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.604 HD22 HG23 ' A' ' 9' ' ' ILE . 8.4 m120 -68.76 -10.01 54.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -84.14 -55.48 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 p -77.49 -51.23 11.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -70.95 75.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER 168.56 -71.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.633 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 5.7 m-20 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.91 56.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.329 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.927 ' HB3' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -115.14 -161.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 ' HB ' ' A' ' 78' ' ' THR . 35.2 m -116.52 159.27 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HE3' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 ptmt -141.8 166.62 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.1 pp -117.22 122.51 31.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.558 ' O ' HD12 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.0 -170.04 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.57 104.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -95.0 165.27 17.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.442 ' CD ' ' HG2' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 56.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.408 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 165.74 47.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 5.9 m120 -136.04 59.94 31.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.98 100.94 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.95 -97.26 0.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.1 OUTLIER -140.59 54.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.47 147.3 16.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' THR . 14.1 p-10 179.62 -176.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.724 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.4 m-85 -159.49 141.28 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.597 ' CZ3' ' HE3' ' A' ' 63' ' ' LYS . 18.9 m0 -118.06 164.7 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.544 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.8 m -135.81 120.26 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD22 ' H ' ' A' ' 80' ' ' ASP . 1.4 tm? -121.58 140.63 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.936 ' H ' HD22 ' A' ' 79' ' ' LEU . 3.0 t70 -66.34 147.58 98.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.03 86.39 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 164.92 40.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.8 t -80.63 -25.44 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -84.76 -39.81 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.6 -45.84 92.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -11.84 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.902 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.3 t80 -82.37 -57.86 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -53.44 -48.82 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -42.44 -54.38 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.44 -53.24 10.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.94 57.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -61.67 -45.92 91.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 66.59 172.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 6' ' ' TYR . 20.9 tpt180 -104.03 97.3 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.9 66.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -155.97 42.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.6 tptt 179.88 120.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.4 ' HB2' ' OP1' ' C' ' 364' ' ' ' DG' . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.582 H2'' " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.233 -19.367 2 C5'-C4'-O4' 87.139 -13.913 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.611 H5'' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.503 -1.492 4 O4'-C4'-C3' 94.505 -11.095 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.593 ' H72' " C2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.59 13.055 3 C5'-C4'-O4' 155.92 29.075 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.334 -10.175 4 C5'-C4'-O4' 146.688 23.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . 0.459 " C2'" " O5'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.124 -29.239 3 C5'-C4'-O4' 91.099 -11.438 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.462 H2'' " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.368 3 C5'-C4'-O4' 139.82 19.013 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 1.28 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.643 17.91 3 C5'-C4'-O4' 159.674 31.421 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.725 ' OP2' H2'' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.553 9.723 3 C5'-C4'-O4' 154.894 28.434 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 1.23 " C4'" " O4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.729 25.721 3 C5'-C4'-O4' 152.398 26.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.565 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.539 8.443 3 C5'-C4'-O4' 144.703 22.064 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.473 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.581 12.241 3 C5'-C4'-O4' 145.714 22.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.224 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.722 25.07 3 C5'-C4'-O4' 160.185 31.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . 1.252 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.661 19.588 3 C5'-C4'-O4' 142.506 20.691 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.512 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.573 11.51 3 C5'-C4'-O4' 140.348 19.343 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 1.193 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.765 28.975 3 C5'-C4'-O4' 161.492 32.558 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . 0.422 ' OP2' H2'' ' B' ' 263' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.327 4 C5'-C4'-O4' 150.796 25.873 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . 0.422 ' OP1' ' HD3' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.544 8.885 4 C5'-C4'-O4' 138.858 18.412 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.973 4 O4'-C4'-C3' 95.335 -10.265 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.561 10.484 3 O4'-C4'-C3' 95.07 -10.53 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.56 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.508 4 C5'-C4'-O4' 138.522 18.201 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.56 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.465 1.72 4 C5'-C4'-O4' 129.05 12.282 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.547 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.603 14.318 3 C5'-C4'-O4' 151.708 26.442 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 0.669 ' C8 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.613 15.157 3 C5'-C4'-O4' 136.727 17.079 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.625 ' H71' ' HD3' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.509 5.769 3 C5'-C4'-O4' 129.431 12.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 4 C5'-C4'-O4' 140.262 19.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.565 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.562 10.557 3 C5'-C4'-O4' 146.781 23.363 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.583 ' C6 ' ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.61 14.952 3 C5'-C4'-O4' 153.403 27.502 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.156 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.807 32.786 3 C5'-C4'-O4' 158.833 30.896 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.625 ' H71' " C2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.519 6.609 3 O4'-C4'-C3' 93.829 -11.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.482 3.298 4 C5'-C4'-O4' 140.804 19.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.313 4 C5'-C4'-O4' 146.956 23.472 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.615 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.407 -3.558 3 O4'-C4'-C3' 101.032 -4.568 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.615 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.615 15.327 2 O4'-C4'-C3' 92.494 -13.106 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.265 -16.491 3 C5'-C4'-O4' 94.542 -9.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.463 HG22 ' CG ' ' A' ' 39' ' ' TYR . 17.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -110.96 -66.17 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.07 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.02 157.01 42.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.76 146.18 34.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.45 ' HB3' ' OP2' ' B' ' 256' ' ' ' DA' . 19.3 p -68.77 159.19 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' O ' HD13 ' A' ' 12' ' ' ILE . 14.5 m-85 -81.28 -28.07 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.001 HD11 ' HD3' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -45.09 -40.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.04 -52.58 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 37' ' ' PHE . 1.4 mm? -61.22 -29.82 70.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.7 mp -68.66 -55.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' ILE . 69.2 p -47.78 -40.88 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttp -74.3 -30.2 61.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -68.16 -42.22 80.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -74.39 -33.62 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 13' ' ' THR . 3.6 mm? -69.96 -34.51 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -68.87 -19.56 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 21' ' ' GLN . 5.9 p -125.76 67.09 58.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.96 40.59 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 19' ' ' SER . 16.2 tt0 -122.65 -5.82 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER 70.59 59.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttm 179.92 106.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.702 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -145.37 152.96 40.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' ASN . 24.5 m -108.09 114.85 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -43.39 -49.7 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 35.8 t -51.47 -52.76 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.97 -28.74 72.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 mp -67.94 -56.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.8 t -50.52 -40.92 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.74 -36.85 83.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -72.74 -20.03 61.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 32' ' ' PHE . 19.1 mm -80.76 -40.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -61.42 -54.96 36.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.92 -40.46 57.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.76 -51.13 17.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 41.6 m-85 -122.72 112.45 30.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.463 ' CG ' HG22 ' A' ' 2' ' ' VAL . 9.2 m-85 -53.3 -40.73 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.4 m-30 -63.45 -40.49 97.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -16.13 56.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.11 -50.77 18.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 44' ' ' PHE . 6.8 tttp -80.11 -50.68 9.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.648 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER 25.2 66.24 0.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.74 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.0 -12.54 21.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.553 1.817 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 159.47 62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.5 m95 -83.05 14.8 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 52' ' ' ARG . 4.4 tm0? -80.65 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 50' ' ' SER . 16.5 p30 -77.93 -28.08 49.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 70.3 m -57.88 -57.99 10.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 47' ' ' TRP . 1.7 mp -68.75 -45.57 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 4.8 mtt180 -53.14 -38.91 63.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.642 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 0.4 OUTLIER -67.99 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.494 ' CG ' HG22 ' A' ' 9' ' ' ILE . 1.2 m-20 -57.7 -14.29 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -79.98 -51.31 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 9.0 t -80.06 -51.65 8.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 3.9 mm? -72.44 76.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 16.2 m-20 170.73 -59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 62.0 m-20 -76.05 -48.77 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.35 67.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -129.75 -166.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 ' HB ' ' A' ' 78' ' ' THR . 34.6 m -118.62 153.39 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -135.0 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.2 tt -121.41 128.6 25.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB2' ' NH1' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -38.13 111.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 9.0 tp10 -88.54 137.89 30.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 81.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.44 -61.52 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 13.9 p-10 -117.06 97.34 50.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.1 Cg_endo -75.07 -93.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 15.04 -90.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' PRO . 6.9 mtmt -139.92 34.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.47 122.51 6.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.162 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 25' ' ' THR . 15.5 p-10 -163.02 179.01 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 1.049 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -154.86 140.6 18.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 63' ' ' LYS . 14.2 m0 -118.69 139.91 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.488 ' HB ' HG23 ' A' ' 62' ' ' VAL . 89.0 m -117.37 135.76 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.4 tt -116.29 160.57 20.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.677 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.1 m-20 -68.97 151.5 97.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -74.96 78.74 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.8 mt-30 167.44 46.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.538 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.9 t -77.49 -47.19 20.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.58 -32.26 72.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.32 -55.37 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 83' ' ' SER . 12.7 ptm -63.03 -12.9 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CE1' ' HB ' ' A' ' 13' ' ' THR . 2.5 m-85 -114.96 19.93 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.3 -62.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -68.28 124.05 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.31 -129.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.9 m 65.35 8.04 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -152.43 30.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 94' ' ' ARG . 0.8 OUTLIER -86.83 59.39 5.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HB2' ' CB ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER 58.64 153.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.57 ' HD3' " H4'" ' C' ' 363' ' ' ' DA' . 66.3 mtt85 -38.37 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -137.56 -53.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.518 ' C ' ' HD2' ' A' ' 94' ' ' ARG . 4.9 ttpt -177.55 108.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 1.001 ' HD3' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 249' ' ' ' DG' . . . . . 0.649 " O4'" ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 4.222 252.356 4 O4'-C4'-C3' 33.246 -72.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 250' ' ' ' DC' . . . . . 0.649 ' C6 ' " O4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.571 11.328 2 O4'-C4'-C3' 95.823 -9.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 251' ' ' ' DT' . . . . . 0.575 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.614 15.267 3 C5'-C4'-O4' 135.785 16.491 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 252' ' ' ' DT' . . . . . 0.517 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.546 9.088 3 C5'-C4'-O4' 140.783 19.614 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.459 4 C5'-C4'-O4' 136.694 17.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 254' ' ' ' DA' . . . . . 0.549 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.079 -33.402 3 C5'-C4'-O4' 129.58 12.613 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 255' ' ' ' DA' . . . . . 0.549 " O5'" " C2'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.183 -23.951 3 C5'-C4'-O4' 141.388 19.992 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 256' ' ' ' DA' . . . . . 0.672 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.103 -31.146 3 C5'-C4'-O4' 139.399 18.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 257' ' ' ' DT' . . . . . 0.672 " H4'" " H1'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.527 7.402 3 C5'-C4'-O4' 147.972 24.108 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 258' ' ' ' DA' . . . . . 0.784 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.47 2.207 4 C5'-C4'-O4' 130.77 13.356 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 259' ' ' ' DA' . . . . . 0.43 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.582 12.377 3 C5'-C4'-O4' 151.528 26.33 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 260' ' ' ' DC' . . . . . 1.182 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.787 30.978 3 C5'-C4'-O4' 155.398 28.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.62 15.848 3 C5'-C4'-O4' 146.99 23.494 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 262' ' ' ' DA' . . . . . 0.587 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.613 15.15 3 C5'-C4'-O4' 154.904 28.44 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 263' ' ' ' DT' . . . . . 0.587 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.258 3 C5'-C4'-O4' 149.152 24.845 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.319 4 C5'-C4'-O4' 127.953 11.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 11.999 3 C5'-C4'-O4' 142.783 20.864 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' C' C ' 349' ' ' ' DG' . . . . . 0.48 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.374 -6.563 4 O4'-C4'-C3' 99.372 -6.228 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 350' ' ' ' DT' . . . . . 0.48 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.578 12.017 3 O4'-C4'-C3' 94.47 -11.13 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 351' ' ' ' DA' . . . . . 0.46 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.448 4 C5'-C4'-O4' 142.695 20.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 352' ' ' ' DT' . . . . . 0.593 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.399 -4.285 4 C1'-O4'-C4' 116.159 4.613 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 353' ' ' ' DT' . . . . . 0.593 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.539 8.416 4 C5'-C4'-O4' 154.019 27.887 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 354' ' ' ' DG' . . . . . 1.22 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.655 19.02 3 C5'-C4'-O4' 149.118 24.824 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 355' ' ' ' DT' . . . . . 0.768 " H4'" ' OP1' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.303 3 C5'-C4'-O4' 130.585 13.241 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 356' ' ' ' DT' . . . . . 0.768 ' OP1' " H4'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.368 -7.046 4 C5'-C4'-O4' 149.966 25.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 357' ' ' ' DA' . . . . . 0.784 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.529 7.512 3 C5'-C4'-O4' 147.52 23.825 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 358' ' ' ' DT' . . . . . 0.629 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.513 6.096 4 C5'-C4'-O4' 144.577 21.986 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 359' ' ' ' DT' . . . . . 1.208 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.797 31.949 3 C5'-C4'-O4' 150.575 25.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 360' ' ' ' DT' . . . . . 0.63 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.014 4 C5'-C4'-O4' 89.213 -12.617 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 361' ' ' ' DT' . . . . . 0.428 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.576 11.816 3 C5'-C4'-O4' 148.732 24.582 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.281 -15.002 3 C5'-C4'-O4' 130.965 13.478 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' C' C ' 363' ' ' ' DA' . . . . . 0.591 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.468 2.015 3 O4'-C4'-C3' 100.189 -5.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 364' ' ' ' DG' . . . . . 0.591 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.582 12.364 3 O4'-C4'-C3' 94.649 -10.951 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.28 -15.104 3 C5'-C4'-O4' 92.547 -10.533 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' OH ' ' CZ2' ' A' ' 47' ' ' TRP . 4.1 m-30 -81.3 -32.04 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.36 -37.77 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.26 42.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.56 -33.18 69.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.4 mp -67.37 -59.33 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 9' ' ' ILE . 81.6 p -45.62 -38.91 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 29.6 ttp -75.65 -32.92 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.826 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -67.14 -32.54 73.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.061 HG12 HD13 ' A' ' 79' ' ' LEU . 6.5 tp -84.38 -43.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD11 ' CD2' ' A' ' 87' ' ' PHE . 67.2 mt -63.61 -45.22 91.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -52.95 -18.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.54 ' OG ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -115.77 78.62 7.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -3.43 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt 67.34 64.97 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 179.1 152.13 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 16' ' ' ILE . 12.1 tp -164.74 159.89 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -136.05 125.24 24.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -47.2 -49.56 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.538 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 m -62.31 -46.96 86.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.35 72.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -66.7 -45.33 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.3 t -55.37 -33.97 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.33 -42.92 29.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.84 -29.22 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 16.7 mm -81.29 -56.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 22.1 p -55.25 -33.16 62.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.38 -32.78 68.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -80.11 -50.82 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CB ' ' CD2' ' A' ' 40' ' ' TYR . 62.3 m-85 -113.51 118.4 43.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -52.21 -37.37 54.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 13.1 m-30 -66.7 -36.85 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 4.1 ttp180 -80.06 -13.94 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -81.7 -55.61 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -75.56 -53.01 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 1.4 t80 36.07 61.74 2.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 43.82 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 91.43 66.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.863 ' CE3' HD11 ' A' ' 51' ' ' ILE . 7.9 m95 -82.06 -0.05 42.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.539 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.3 tm0? -68.88 -60.85 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.58 -34.37 60.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -54.67 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.863 HD11 ' CE3' ' A' ' 47' ' ' TRP . 26.6 mm -65.58 -58.69 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.539 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 10.9 mtt180 -49.85 -33.18 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 43.7 t60 -68.82 -57.42 5.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 14.1 m-80 -69.48 -12.65 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -83.57 -54.34 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -80.61 -50.67 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -68.44 80.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.28 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -66.21 -46.54 76.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 15.0 m 68.46 64.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -115.86 -163.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' THR . 47.4 t -117.38 137.33 51.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -122.58 169.37 11.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -118.38 121.94 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -41.05 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -106.72 169.08 7.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.67 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.74 43.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -134.82 64.32 62.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.02 79.63 2.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.11 -80.14 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 54.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ASN . . . -116.92 77.41 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.411 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 9.3 p-10 -111.81 -174.54 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CB ' HG12 ' A' ' 64' ' ' ILE . 1.8 m-85 -145.94 136.01 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 8.5 m0 -125.73 129.63 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' VAL . 23.8 m -119.82 130.49 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.061 HD13 HG12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.04 145.14 45.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.32 170.4 10.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 66.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 79' ' ' LEU . 9.9 t -54.93 -54.27 44.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.26 -17.09 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.92 -51.49 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 3.5 ptt? -66.85 -16.3 64.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 18.6 m-85 -81.25 -41.24 22.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -41.64 -32.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.9 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 37' ' ' PHE . 53.3 mt -49.04 -34.01 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 51' ' ' ILE . 21.1 mm -74.53 -50.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.617 HG22 HD22 ' A' ' 17' ' ' LEU . 50.2 m -45.13 -39.11 5.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -40.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -54.68 -38.25 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 79' ' ' LEU . 38.4 mm -81.78 -53.95 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -50.37 -43.0 54.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.09 -24.19 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 13.4 p -123.32 74.66 51.48 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.82 19.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -70.11 -94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 4.7 tttp 178.79 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -176.43 143.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.824 HD22 ' O ' ' A' ' 23' ' ' LYS . 2.7 mm? -142.3 159.01 43.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 p -144.34 94.96 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.1 tm? -44.71 -47.88 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 89.7 p -61.09 -56.57 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.79 -45.52 94.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.484 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mp -57.5 -42.93 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.15 -46.87 82.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -31.88 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -69.63 -29.58 67.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.422 HG23 ' HD1' ' A' ' 37' ' ' PHE . 4.3 mt -77.51 -55.16 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -50.9 -38.3 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.43 -49.61 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -64.68 -55.24 21.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -114.95 91.67 27.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 14.9 p90 -52.47 -38.17 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.9 t80 -59.21 -37.4 77.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -32.78 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -10.58 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -109.68 1.09 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 1.1 t80 -176.95 68.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 80.78 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . 171.5 59.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -110.91 40.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' OE1' ' OD1' ' A' ' 49' ' ' ASN . 13.4 tt0 -78.94 -61.02 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' OE1' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -78.04 -37.0 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.626 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -53.88 -53.19 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG23 HD11 ' A' ' 12' ' ' ILE . 9.2 mm -68.52 -47.75 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -55.75 -25.13 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.687 ' CE1' HD22 ' A' ' 57' ' ' LEU . 51.0 t60 -78.64 -53.76 6.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.31 -13.08 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -82.66 -56.45 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.629 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -80.24 -49.07 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -78.38 73.43 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.37 -41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 1.1 m-20 -76.51 -44.65 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.5 m 69.29 54.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.31 -152.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 78' ' ' THR . 27.3 m -130.86 164.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.38 171.12 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -119.53 122.19 29.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.1 Cg_endo -75.03 -169.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.13 73.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -81.51 -59.03 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.99 53.1 4.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -71.69 155.83 91.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.01 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.38 -111.27 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.76 58.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.27 87.1 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 16.9 p-10 -127.61 171.26 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 1.014 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -149.21 141.16 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 17.4 m0 -119.26 149.94 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' HG23 ' A' ' 62' ' ' VAL . 22.5 m -119.3 126.98 52.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.8 tt -117.23 149.84 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.841 ' O ' HD23 ' A' ' 79' ' ' LEU . 12.0 t70 -72.86 145.0 86.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.02 82.97 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 168.39 40.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -72.53 -38.07 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.97 -36.47 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.32 -58.16 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 4.0 ptt? -59.92 -15.01 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 83' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 37.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.961 ' HB3' HD12 ' A' ' 51' ' ' ILE . 31.3 m-85 -69.17 -31.67 70.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 tt -51.06 -52.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.1 -50.28 73.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.726 HD22 ' HE2' ' A' ' 37' ' ' PHE . 59.3 mt -54.21 -28.52 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.95 HD12 HD13 ' A' ' 55' ' ' LEU . 5.6 mm -78.01 -59.21 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.816 ' O ' HD23 ' A' ' 17' ' ' LEU . 29.4 p -39.7 -36.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.3 ttp -80.96 -45.78 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -56.26 -33.66 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 55' ' ' LEU . 39.6 mm -77.77 -51.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 13' ' ' THR . 4.1 mm? -57.13 -40.06 76.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -47.4 -28.32 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 3.8 p -119.08 77.57 16.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.78 14.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -71.42 -91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.25 73.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.976 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -177.84 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -149.37 175.25 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 179.59 110.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.5 tm? -50.38 -50.79 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -49.82 -49.51 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.1 85.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mp -59.87 -63.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.0 t -48.85 -41.24 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -36.66 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.7 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.89 -19.34 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 5.8 mm -74.21 -40.43 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -71.21 -45.69 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -51.05 -42.17 60.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -75.63 -45.82 35.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.726 ' HE2' HD22 ' A' ' 11' ' ' LEU . 12.5 m-85 -125.84 106.44 25.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -50.77 -37.49 42.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -40.43 96.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -80.36 -18.66 48.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -50.71 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -78.29 -49.48 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 10.9 t80 43.15 73.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.01 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 68.5 59.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.4 p-90 -97.15 28.09 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -71.69 -69.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -71.07 -22.78 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' OG ' ' CE2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -62.46 -54.95 32.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 8' ' ' TYR . 3.6 tp -66.92 -43.07 89.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 16.2 mtt180 -61.27 -32.26 72.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.2 t60 -68.05 -59.55 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.67 -13.11 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 12' ' ' ILE . 10.3 tp -82.57 -52.34 6.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.597 ' OG ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.48 -55.0 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.051 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.597 HD22 ' OG ' ' A' ' 56' ' ' SER . 4.3 mm? -72.31 82.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 165.42 -54.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.4 m-20 -81.56 -46.73 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.4 t 76.28 62.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.332 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -119.22 -162.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 13.6 t -119.71 149.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.671 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -134.17 168.41 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.959 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.8 tt -118.4 120.28 32.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HB2' ' NH2' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 65' ' ' PRO . 4.7 mtm-85 -33.58 116.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -105.88 120.69 48.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.21 2.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.29 -36.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -123.95 91.68 49.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.35 -96.68 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.52 55.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.42 100.57 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.525 ' CG ' ' N ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -142.9 170.94 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.959 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.6 151.47 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.671 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 20.5 m0 -121.03 148.0 44.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 41.4 m -117.68 141.5 48.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.84 144.28 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.7 160.97 62.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 179.44 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 p -80.01 -55.63 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -16.6 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.65 -49.81 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -71.45 -17.73 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 86' ' ' MET . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 8' ' ' TYR . 41.0 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.7 m-85 -75.02 -29.66 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 13' ' ' THR . 13.3 tt -40.6 -29.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -74.79 -51.87 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 33' ' ' ILE . 11.1 mp -58.91 -29.06 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 8' ' ' TYR . 3.2 mp -77.47 -56.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 9' ' ' ILE . 3.2 p -44.13 -35.68 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.1 ttp -80.4 -42.23 23.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -58.53 -35.91 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.664 HG13 HD11 ' A' ' 24' ' ' LEU . 1.5 mp -79.01 -49.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 13' ' ' THR . 2.1 mm? -55.9 -31.8 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.81 -17.59 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 p -127.55 68.16 73.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.04 -4.31 15.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.45 -89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 173.32 64.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.12 146.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 16' ' ' ILE . 10.5 mt -144.38 169.27 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' C ' ' A' ' 24' ' ' LEU . 36.6 p -156.09 100.24 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.1 tp -45.37 -41.49 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -54.49 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -28.0 72.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.38 -44.11 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.6 t -62.32 -37.24 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.87 -37.2 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.25 -34.24 77.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.657 ' CG2' HD23 ' A' ' 11' ' ' LEU . 1.6 mt -81.69 -53.92 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -46.28 -43.38 15.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -48.57 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -58.64 -39.92 81.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -129.97 93.97 32.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -20.88 16.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.77 -28.87 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HH ' ' HE1' ' A' ' 8' ' ' TYR . 2.2 t80 -65.32 -62.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -52.45 -32.22 38.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.74 -22.93 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.19 19.24 16.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -154.22 94.14 2.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.1 Cg_endo -75.07 18.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 175.27 82.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 44.6 p-90 -125.92 31.41 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 2.0 tm0? -81.58 -48.3 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 77.7 m-20 -72.58 -39.94 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 3.3 m -47.7 -57.46 5.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -65.93 -42.75 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.565 ' NH1' ' CB ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -54.99 -31.6 61.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 9.0 t-80 -73.6 -56.67 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.682 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.5 -14.51 63.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 2.2 tp -84.86 -58.37 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.565 ' CB ' ' NH1' ' A' ' 52' ' ' ARG . 15.9 p -77.36 -51.16 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -80.92 83.6 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.17 -64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.588 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -67.9 -49.34 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 80.57 63.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -126.39 -164.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' HB ' ' A' ' 78' ' ' THR . 4.4 m -120.11 157.91 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -140.27 173.68 11.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.1 tt -116.4 121.66 33.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 18.5 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.17 110.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.22 159.95 30.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 74.97 3.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.44 44.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 1.6 m120 -119.42 78.5 19.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.03 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.98 -57.93 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -142.51 60.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -120.47 71.79 0.35 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.535 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.7 p-10 -135.36 175.42 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.692 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -151.25 154.15 36.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 16.6 m0 -119.79 173.56 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HG23 ' A' ' 62' ' ' VAL . 43.2 m -142.5 138.67 31.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -116.71 167.43 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.8 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -103.65 159.05 30.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.0 92.06 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.6 mt-30 165.39 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -81.63 -55.19 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.68 -28.4 55.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.04 -45.23 82.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mtm -54.75 -37.14 65.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 13' ' ' THR . 4.4 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 9' ' ' ILE . 79.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.704 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 9.6 t80 -83.77 -31.82 25.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 9' ' ' ILE . 6.2 tp -40.69 -28.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -73.17 -53.79 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.766 ' HB3' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -54.3 -41.81 69.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 55' ' ' LEU . 15.9 mm -67.91 -48.63 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 87' ' ' PHE . 1.9 m -41.13 -45.91 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 13.7 ttp -79.69 -33.31 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.639 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -58.85 -35.16 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 24' ' ' LEU . 8.5 mm -81.95 -50.02 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.32 -48.62 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.2 pp0? -43.65 -31.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.762 ' OG ' HD22 ' A' ' 24' ' ' LEU . 2.4 p -116.71 76.91 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 37.91 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -118.32 -11.03 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 64.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.79 111.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -155.99 168.79 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -120.38 131.37 54.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -52.54 -41.17 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -59.3 -57.62 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.2 -41.19 78.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.508 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -61.32 -56.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.461 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.7 t -46.61 -38.4 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.316 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.81 -21.8 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 11' ' ' LEU . 29.7 mm -80.94 -54.74 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 19.8 m -55.88 -46.14 78.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.09 -40.32 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -76.63 -50.28 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 11' ' ' LEU . 3.0 m-85 -122.1 107.73 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -45.72 -41.02 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.6 m-30 -68.13 -37.55 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.34 -17.89 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.7 mttm -70.9 -56.94 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 3.6 t80 27.86 62.19 0.65 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -21.24 16.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.783 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.797 ' HB1' HD22 ' A' ' 49' ' ' ASN . . . -179.51 54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.704 ' CZ3' ' CD1' ' A' ' 8' ' ' TYR . 3.2 m95 -72.15 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' TRP . 1.4 tt0 -36.42 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.797 HD22 ' HB1' ' A' ' 46' ' ' ALA . 10.0 m-20 -78.68 -56.27 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASN . 1.1 t -65.07 -30.25 71.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 20.9 mt -68.21 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 6.3 mtt-85 -62.22 -16.13 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.549 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 46.7 t60 -80.86 -54.48 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 50' ' ' SER . 30.6 m120 -70.61 -24.34 62.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -81.65 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.9 p -70.87 -50.53 34.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -81.83 86.82 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.2 m120 154.28 -58.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.599 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 4.4 m-20 -68.26 -67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.599 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 96.59 56.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.855 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -117.81 -167.09 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 m -119.43 140.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.92 171.07 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 76' ' ' TYR . 6.9 tt -118.09 129.95 25.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.86 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -80.56 166.71 37.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' CD ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.04 55.22 3.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.13 53.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 74' ' ' GLY . 0.5 OUTLIER -115.1 87.11 14.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.1 Cg_endo -75.04 52.46 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.753 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.94 -52.53 0.85 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -145.02 68.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -132.13 76.8 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 6.7 p30 -122.74 179.44 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.812 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -143.11 141.08 31.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.6 m0 -125.82 151.66 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 55.3 m -139.3 125.03 19.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.855 HD12 ' HD2' ' A' ' 61' ' ' PHE . 1.5 tt -114.85 153.56 30.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -73.01 149.85 89.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -177.64 35.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HB2' HD21 ' A' ' 79' ' ' LEU . 7.6 t -72.24 -54.47 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 -25.03 58.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -71.06 -49.36 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 87' ' ' PHE . 2.1 ptt? -72.78 -21.35 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' ' HE3' ' A' ' 86' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.825 ' CE2' HD11 ' A' ' 12' ' ' ILE . 5.5 t80 -82.54 -21.63 35.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.953 ' O ' HG23 ' A' ' 13' ' ' THR . 8.1 tt -47.95 -47.53 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -64.56 -57.94 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 40' ' ' TYR . 13.1 mt -50.46 -31.53 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.825 HD11 ' CE2' ' A' ' 8' ' ' TYR . 8.8 mm -68.55 -55.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.953 HG23 ' O ' ' A' ' 9' ' ' ILE . 43.8 p -45.22 -40.65 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 2.2 ptt? -82.01 -22.38 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.63 -42.86 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 55' ' ' LEU . 1.8 mp -79.3 -39.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 13' ' ' THR . 1.7 mp -59.55 -40.58 87.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -63.32 -25.87 68.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 24' ' ' LEU . 65.4 p -122.02 70.06 29.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -10.73 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mppt? 70.06 58.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 179.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -140.05 160.71 39.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' OD1' ' A' ' 75' ' ' ASN . 2.3 m -114.96 128.33 56.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -53.81 -52.93 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 p -48.43 -51.37 27.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.532 ' H ' HG22 ' A' ' 25' ' ' THR . . . -61.08 -38.66 95.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -62.67 -45.23 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.0 t -55.5 -48.42 74.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.44 -26.92 68.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.6 -24.25 49.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 8' ' ' TYR . 33.8 mm -80.89 -53.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' PHE . 59.3 p -60.62 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.24 -35.03 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 3.8 mmt-85 -72.41 -41.32 66.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 36' ' ' ARG . 30.2 m-85 -132.49 125.11 19.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.8 10.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.685 ' CE2' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -56.15 -43.48 78.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE1' ' CE2' ' A' ' 39' ' ' TYR . 11.5 m-85 -65.0 -41.58 95.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.46 -42.11 77.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.68 -15.49 51.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.742 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -120.07 56.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 4.0 t80 -113.52 61.75 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.97 -18.88 18.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB1' ' ND2' ' A' ' 49' ' ' ASN . . . -179.58 52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.95 ' O ' HG23 ' A' ' 51' ' ' ILE . 3.2 m95 -71.86 -46.71 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -44.96 -33.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' HB1' ' A' ' 46' ' ' ALA . 28.0 m-20 -82.56 -48.61 10.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.49 ' HB3' ' CE3' ' A' ' 47' ' ' TRP . 26.8 t -63.03 -32.69 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 47' ' ' TRP . 7.1 pt -73.75 -56.6 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.6 mpp_? -61.76 -18.45 59.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' LEU . 50.7 t-80 -82.11 -56.6 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' SER . 34.1 m120 -71.9 -19.18 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.93 -56.01 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.583 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 51.1 p -76.98 -51.7 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -79.82 77.43 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 166.4 -59.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.9 m-20 -66.9 -57.39 7.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.19 55.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -122.61 -163.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.43 151.11 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -129.56 173.41 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.787 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 tp -116.96 119.54 35.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tpt85 -35.46 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tp10 -105.89 133.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.28 2.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.566 1.824 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.14 -53.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.65 114.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.07 -97.4 0.17 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -142.73 56.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.57 93.82 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.674 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 17.8 p-10 -122.47 -158.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.787 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -158.92 140.08 13.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CD1' ' ND2' ' A' ' 75' ' ' ASN . 10.7 m0 -125.65 136.83 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 94.1 m -121.19 132.1 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' A' ' 61' ' ' PHE . 2.1 tt -116.61 151.47 36.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.69 ' O ' HD23 ' A' ' 79' ' ' LEU . 8.3 t70 -68.65 146.31 97.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.06 86.92 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 163.71 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.563 ' HB3' HD21 ' A' ' 79' ' ' LEU . 3.4 p -78.97 -35.75 42.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.47 -36.26 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.48 -56.53 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 83' ' ' SER . 25.8 ptt? -57.61 -33.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 64.5 m-85 -81.09 -47.5 13.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -39.45 -33.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -54.22 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' ILE . 2.9 mm? -59.39 -29.84 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 55' ' ' LEU . 10.4 mm -66.55 -51.9 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.709 ' O ' HD23 ' A' ' 17' ' ' LEU . 48.2 m -52.4 -39.84 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 10.0 ttp -79.76 -22.11 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -74.49 -36.9 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.755 HD12 HD13 ' A' ' 79' ' ' LEU . 27.5 mm -81.61 -37.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -68.93 -52.4 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' MET . 1.1 pp0? -51.02 -24.79 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.4 p -119.48 74.26 16.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 40.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.8 OUTLIER -119.87 -13.93 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.91 61.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.88 105.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -148.58 165.81 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 76' ' ' TYR . 80.4 p -114.9 132.6 56.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -52.97 -45.19 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.507 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 23.0 t -59.25 -55.34 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -33.65 61.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.565 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -67.41 -52.35 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 39.0 t -54.08 -33.33 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.01 -33.71 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.38 -33.44 71.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.776 HG21 ' HZ3' ' A' ' 47' ' ' TRP . 5.9 mt -75.63 -58.48 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -46.2 -32.22 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.26 -37.57 72.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -76.39 -37.68 56.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.651 ' CE1' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -125.71 108.49 25.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.38 14.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -71.22 -38.49 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.816 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -58.81 -45.14 90.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -70.56 -9.14 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.71 -51.37 8.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.0 tptt -78.47 -53.92 6.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 0.5 OUTLIER 26.25 65.34 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 50' ' ' SER . . . -178.78 47.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.816 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.1 m95 -70.87 -5.08 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -69.32 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.459 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -76.46 -31.14 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 1.7 p -48.89 -54.28 16.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 55' ' ' LEU . 6.4 pt -77.26 -50.4 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.599 ' NE2' HD22 ' A' ' 57' ' ' LEU . 53.8 t-80 -80.3 -58.73 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.521 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 27.7 m120 -65.61 -11.51 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.621 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -86.07 -59.62 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.28 -47.69 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.599 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.12 87.69 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.1 m120 155.38 -49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.4 m-20 -80.71 -61.31 2.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.6 t 95.43 61.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.759 ' CD2' HD12 ' A' ' 79' ' ' LEU . 1.8 p90 -126.23 -160.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.34 165.77 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -174.59 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 13.4 mm -122.49 109.29 32.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.06 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' PRO . 5.7 mtm-85 -33.45 103.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -127.9 176.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 63.85 6.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 175.05 49.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 7.0 m-20 -132.58 64.19 70.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 70.83 5.18 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.45 -65.9 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -142.64 58.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -117.74 126.45 6.91 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.9 p-10 -162.57 -178.36 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 12.9 m-85 -150.51 138.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.621 ' CZ3' ' HG ' ' A' ' 55' ' ' LEU . 11.1 m0 -124.23 136.93 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.3 m -118.15 135.44 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.6 tt -119.14 157.21 28.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.816 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.19 155.5 46.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -75.05 90.46 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.9 mt-30 165.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 60.6 p -81.07 -41.86 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.7 -57.04 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 59' ' ' ASP . 22.8 ttp -71.42 -36.59 71.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CD2' ' O ' ' A' ' 83' ' ' SER . 11.2 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.558 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 43.9 m-85 -51.21 -27.65 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 10' ' ' ALA . 8.0 pt -61.2 -36.49 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -70.25 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD13 HD13 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -47.97 -34.33 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 51' ' ' ILE . 4.9 mm -69.94 -53.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 6.4 tmm? -80.43 -36.17 34.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -60.94 -28.57 69.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 HG23 ' A' ' 12' ' ' ILE . 1.6 mp -85.31 -49.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.0 -39.65 82.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.38 -26.04 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.561 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.6 p -120.8 73.37 23.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 -4.81 15.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.05 -8.68 47.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 70.48 57.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.66 112.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -149.63 160.14 43.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.515 ' O ' HD13 ' A' ' 29' ' ' ILE . 78.2 p -118.24 127.01 53.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 55' ' ' LEU . 1.9 tm? -50.74 -53.28 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 t -50.38 -52.21 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.07 -31.66 81.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.563 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -65.71 -45.53 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.7 t -61.12 -38.62 86.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -64.51 -39.49 93.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -71.34 -32.48 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.657 HD13 HD13 ' A' ' 11' ' ' LEU . 2.5 mt -75.95 -26.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' PHE . 54.6 p -71.59 -43.87 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.36 -44.71 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 3.7 mmt180 -67.84 -32.45 72.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -130.14 105.13 16.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 8.0 p90 -57.5 -30.53 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 3.1 t80 -61.89 -49.97 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -75.93 -6.82 52.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 1.8 mt-10 -81.54 -46.97 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.5 tptp -80.2 -48.07 13.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 35.85 72.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.0 31.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 75.22 57.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 8.7 p-90 -94.07 26.48 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.443 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.17 -66.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -73.07 -18.87 61.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.3 m -64.53 -56.48 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -68.32 -37.11 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -71.21 -59.2 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TYR . 2.8 m-20 -65.78 -14.82 62.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 26' ' ' LEU . 3.0 tp -81.98 -54.32 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 84.1 p -71.56 -53.29 14.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 87.27 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.57 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.8 m-20 -78.77 -48.36 14.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER 89.9 75.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 8.8 p90 -136.35 -163.95 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 78' ' ' THR . 32.2 m -123.44 163.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -177.7 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.6 mm -117.5 123.65 29.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 -160.58 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 58.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.767 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 1.5 tt0 -141.22 43.15 0.51 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HD3' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.02 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.76 5.08 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 68' ' ' PRO . 5.7 p30 -135.31 137.92 27.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.2 -164.89 34.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.67 40.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.52 127.07 8.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.637 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 30.9 p30 -141.94 -164.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 13.8 m-85 -147.7 143.1 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.1 m0 -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' VAL . 72.8 m -116.99 142.77 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -120.54 162.51 19.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.595 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.7 t70 -81.67 144.76 53.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.02 81.52 2.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.1 mt-30 163.66 43.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 90.3 p -72.94 -53.36 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.55 -53.52 56.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.13 -41.51 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 33.2 ttp -62.42 -54.19 43.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HB3' HD12 ' A' ' 51' ' ' ILE . 23.4 m-85 -82.12 -20.17 38.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -48.07 -43.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG1' ' A' ' 13' ' ' THR . . . -65.05 -52.01 58.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 37' ' ' PHE . 45.3 mt -54.31 -37.82 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 51' ' ' ILE . 1.1 mp -68.6 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.672 HG21 ' CE1' ' A' ' 87' ' ' PHE . 1.6 p -41.6 -33.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 11.6 ttp -79.9 -40.71 27.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -59.71 -26.66 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 79' ' ' LEU . 31.0 mm -84.08 -56.47 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 13' ' ' THR . 0.8 OUTLIER -55.03 -45.62 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -47.5 -40.27 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 31.0 p -68.35 108.59 2.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 -4.18 15.02 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.1 33.72 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 29.66 64.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' SER . 13.5 ttmt -174.65 142.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 29' ' ' ILE . 2.1 pt? -157.98 167.5 29.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.9 m -121.74 143.07 49.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.639 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.9 tm? -59.12 -56.38 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.6 p -47.68 -55.83 8.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.94 -34.97 81.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 25' ' ' THR . 1.1 mp -63.68 -53.32 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 t -48.96 -42.93 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -73.12 -22.35 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 29' ' ' ILE . 37.8 mm -80.44 -43.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 43.5 p -69.16 -57.64 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.2 -46.81 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 10.0 mmm180 -64.03 -54.28 36.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 39.5 m-85 -118.0 119.84 33.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -54.4 -38.95 66.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.79 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.5 m-30 -64.99 -36.82 85.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 4.2 ttt180 -79.97 -22.33 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.82 -58.91 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' PHE . 5.6 mtmt -71.61 -53.72 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.6 t80 23.37 62.1 0.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -25.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 176.26 59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CH2' ' CG ' ' A' ' 40' ' ' TYR . 18.6 m95 -80.44 -11.88 59.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.002 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.8 tt0 -62.8 -55.43 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.48 -36.25 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -58.38 -52.39 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.671 HD12 ' HB3' ' A' ' 8' ' ' TYR . 1.2 tp -69.81 -52.07 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.4 mtt180 -56.9 -28.18 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 76.0 t60 -74.88 -58.09 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -66.86 -14.77 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 61' ' ' PHE . 10.3 tp -84.13 -55.16 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.02 -51.64 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.964 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 mm? -80.55 91.37 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 151.17 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 6.9 m-20 -81.19 -41.63 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 47.3 m 67.52 74.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -128.96 -145.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 33.3 m -134.86 156.25 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -136.98 177.27 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' OE1' ' A' ' 67' ' ' GLU . 9.1 mm -119.09 113.56 35.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -75.04 178.58 7.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' PRO . 11.1 tpt180 -37.55 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' OE1' HD12 ' A' ' 64' ' ' ILE . 2.2 mt-10 -128.54 164.47 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.96 -76.68 1.05 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -138.81 129.02 14.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.41 -88.26 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 61.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.5 114.26 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -141.16 -173.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -147.8 129.12 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 12.0 m0 -121.7 140.25 52.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 108.035 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 52.6 m -130.72 139.69 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 HG21 ' A' ' 16' ' ' ILE . 8.3 tt -115.79 156.49 25.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.721 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.2 m-20 -68.67 157.41 88.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -165.15 37.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.428 ' HA ' ' SD ' ' A' ' 86' ' ' MET . 2.1 t -79.48 -31.47 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -33.7 28.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -55.02 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 83' ' ' SER . 3.3 ptm -62.32 -11.56 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.545 ' HD2' HD12 ' A' ' 51' ' ' ILE . 4.1 m-85 -58.21 -25.03 61.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -50.57 -40.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -66.04 -55.72 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -49.73 -35.96 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 55' ' ' LEU . 1.1 mp -73.08 -41.07 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 17' ' ' LEU . 18.4 m -51.43 -48.69 62.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 18.2 ptm -74.08 -30.32 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -65.14 -31.69 73.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 24' ' ' LEU . 32.6 mm -79.84 -49.66 18.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 13' ' ' THR . 4.4 mm? -58.26 -27.75 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -56.91 -28.09 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.869 ' OG ' HD23 ' A' ' 24' ' ' LEU . 18.6 p -111.37 95.08 24.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 14.96 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -114.5 13.19 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 40.14 59.02 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 112.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -144.6 173.71 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 75' ' ' ASN . 30.5 p -111.96 123.82 51.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -48.08 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -60.42 -51.17 70.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.1 -45.08 83.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -63.84 -44.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -35.22 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.34 -39.78 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.3 -30.56 71.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.3 mt -79.2 -57.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -33.81 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 5.6 mmm180 -63.71 -31.02 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -137.76 88.47 16.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 9.8 p90 -73.88 -28.07 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -63.86 -50.15 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -63.56 -20.1 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.29 -40.48 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.97 10.38 41.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -148.53 71.14 10.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.76 3.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.26 63.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.825 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 4.2 m95 -107.33 12.87 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 1.1 tm0? -78.48 -71.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -75.84 -29.85 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -53.9 -56.14 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.825 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 3.8 tp -70.67 -47.82 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.49 -37.19 56.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CE1' HD22 ' A' ' 57' ' ' LEU . 37.2 t-80 -66.91 -58.3 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 34.2 m120 -67.1 -12.03 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 20.9 tp -85.02 -57.86 2.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.562 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -78.02 -50.58 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.2 tt -76.56 77.9 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.93 -51.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 21.6 m-20 -80.15 -45.44 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m 68.88 65.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -118.78 -160.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.415 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 92.9 t -119.65 147.96 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 164.33 30.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.4 pp -118.16 129.03 25.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.0 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -48.02 92.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.5 mt-10 -87.74 165.03 32.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 58.26 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 36.95 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -125.38 79.31 66.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.29 -76.31 1.0 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 54.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -106.28 69.81 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' THR . 34.7 p-10 -109.68 166.07 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 64' ' ' ILE . 8.7 m-85 -133.91 140.33 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.54 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 9.5 m0 -125.59 138.49 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 20.1 m -120.26 152.02 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -117.0 152.05 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -85.65 165.94 32.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.83 4.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 86' ' ' MET . 23.0 tt0 -175.09 36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.696 ' HB2' HD22 ' A' ' 79' ' ' LEU . 41.5 t -78.66 -52.18 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.89 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -41.86 71.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 49.1 ttp -65.66 -56.71 10.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 5.0 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.588 ' O ' HD23 ' A' ' 11' ' ' LEU . 51.1 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.531 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.5 m-85 -63.4 -50.67 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.91 -47.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 37' ' ' PHE . 4.5 mm? -58.61 -33.9 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.589 HD13 ' N ' ' A' ' 12' ' ' ILE . 2.7 mm -66.1 -57.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.987 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.2 m -43.09 -49.73 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.585 ' SD ' HD13 ' A' ' 11' ' ' LEU . 18.7 ptm -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -79.2 -55.63 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.858 HD12 HD13 ' A' ' 79' ' ' LEU . 36.2 mm -54.18 -35.51 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -64.97 -12.16 46.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 8.2 mm100 -71.38 -35.68 71.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.647 ' OG ' HD13 ' A' ' 24' ' ' LEU . 24.1 p -126.11 66.33 59.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.04 53.96 3.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 13.1 tt0 -138.96 -78.23 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 172.52 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -179.93 133.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.647 HD13 ' OG ' ' A' ' 19' ' ' SER . 8.8 tp -156.75 172.45 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 75' ' ' ASN . 89.5 m -157.94 117.94 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -50.08 -52.5 34.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 p -47.83 -46.85 31.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.47 85.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -66.1 -59.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.588 ' N ' HG22 ' A' ' 29' ' ' ILE . 2.0 t -49.6 -39.27 34.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -34.03 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -80.82 -17.18 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.51 HG13 ' CD1' ' A' ' 51' ' ' ILE . 30.9 mm -81.55 -56.18 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -57.97 -35.38 71.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.55 -48.58 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -74.63 -37.17 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CE2' HD11 ' A' ' 11' ' ' LEU . 14.8 m-85 -135.86 96.94 12.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD1' ' A' ' 40' ' ' TYR . 20.3 p90 -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.688 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -55.17 -46.44 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -33.85 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.71 -25.32 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.6 -31.72 41.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -144.91 102.19 4.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.82 67.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 4.5 m95 -106.2 13.02 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.953 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -76.08 -77.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 50' ' ' SER . 5.9 p30 -64.8 -29.91 70.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.585 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 1.9 m -58.76 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 33' ' ' ILE . 4.2 tt -64.38 -46.54 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 52' ' ' ARG . 1.1 tmm_? -51.78 -41.28 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.09 -54.58 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.606 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.39 -11.59 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CZ3' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -83.07 -60.48 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -74.24 -49.32 23.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -78.76 75.97 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 169.74 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 72.6 m-20 -80.02 -56.88 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.9 m 89.08 72.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 1.1 p90 -127.45 -167.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' HB ' ' A' ' 78' ' ' THR . 15.5 m -119.33 138.83 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -122.83 -179.61 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 10.0 mm -119.59 118.67 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -36.43 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' PRO . 18.6 tt0 -107.6 141.54 23.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.01 61.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.51 -58.8 0.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.5 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -137.81 121.16 11.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.37 -91.4 0.14 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 56.33 1.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.56 108.87 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 77' ' ' TRP . 20.8 p-10 -135.73 -168.38 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -141.77 143.5 33.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.667 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.0 m0 -131.02 144.13 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.598 ' HB ' HG23 ' A' ' 62' ' ' VAL . 28.8 m -132.57 128.29 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD13 HD12 ' A' ' 16' ' ' ILE . 2.7 tt -117.22 155.3 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -73.06 148.14 88.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 80.34 2.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.32 40.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.2 p -74.91 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -48.78 -30.6 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.02 -41.45 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.638 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 tmm? -59.03 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CZ ' ' HE1' ' A' ' 86' ' ' MET . 61.8 m-85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 8' ' ' TYR . 9.7 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' N ' ' OG ' ' A' ' 7' ' ' SER . 31.4 m-85 -80.51 -24.16 39.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.558 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -40.9 -38.62 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.78 -52.13 65.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.696 HD11 ' CE2' ' A' ' 37' ' ' PHE . 15.1 mt -60.2 -34.3 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 55' ' ' LEU . 19.7 mm -64.62 -60.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.997 HG21 ' CE1' ' A' ' 87' ' ' PHE . 22.7 p -45.71 -37.06 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 37.4 ttp -79.33 -29.31 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -67.74 -35.12 78.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.593 HG12 HD13 ' A' ' 79' ' ' LEU . 1.8 mp -83.84 -48.04 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -56.21 -51.19 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.1 pp0? -47.7 -28.6 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.463 ' OG ' HD22 ' A' ' 24' ' ' LEU . 85.3 p -118.71 75.93 13.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 5.28 4.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -9.38 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 66.97 58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER 179.23 105.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -141.2 160.2 40.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 51.9 p -115.3 122.48 46.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.0 tm? -46.72 -44.15 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 88.7 p -57.02 -56.53 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.66 -35.32 66.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -64.7 -51.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -50.32 -45.53 54.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.76 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -23.87 60.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 11' ' ' LEU . 26.3 mm -77.4 -57.29 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 p -55.2 -46.51 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -50.88 -45.22 59.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -67.58 -51.1 54.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 11' ' ' LEU . 2.6 m-85 -124.74 100.8 33.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 46.1 p90 -55.72 -37.3 68.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 2.1 t80 -54.23 -40.89 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.72 -35.14 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.39 -11.38 60.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 2.5 tmtt? -105.6 -36.02 7.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.663 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 2.3 t80 -141.09 68.37 27.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . -178.35 61.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.623 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -111.72 21.18 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 tt0 -54.7 -63.5 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' OD1' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.03 -27.62 48.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -60.13 -54.92 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.494 ' CG1' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -69.7 -49.25 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.0 mpp_? -50.56 -50.77 52.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 42.4 t-80 -55.71 -58.31 8.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.21 -13.06 15.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -82.71 -59.97 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -74.05 -51.55 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 3.9 mm? -71.8 66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 169.46 -55.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.614 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.1 m-20 -75.49 -45.23 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 13.2 m 70.44 60.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -121.91 -163.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.46 151.86 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -138.66 160.88 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 76' ' ' TYR . 12.2 tt -116.57 134.24 22.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.88 115.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 9.6 mm-40 -98.56 149.59 35.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.27 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.95 -61.5 6.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.97 100.97 6.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.3 Cg_endo -74.94 -96.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 20.52 -91.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' PRO . 23.0 mtpt -139.36 41.11 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.4 122.36 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.0 p-10 -149.49 172.04 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -132.98 140.0 47.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 10.1 m0 -130.13 133.67 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.593 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 56.7 m -117.47 129.45 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.869 HD12 ' HD2' ' A' ' 61' ' ' PHE . 5.2 tt -115.35 152.19 33.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.27 148.27 83.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -74.98 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 170.76 37.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 79' ' ' LEU . 85.3 p -82.08 -52.9 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -55.04 -26.17 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.76 -40.48 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -60.18 -51.75 68.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.997 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.5 m-85 -56.08 -37.18 68.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.967 HG22 ' OD1' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -40.01 -36.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -82.61 -54.91 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' TYR . 5.9 mt -47.07 -33.27 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.697 HG21 ' HA ' ' A' ' 55' ' ' LEU . 46.8 mm -79.87 -44.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 87' ' ' PHE . 1.2 m -45.16 -44.87 11.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 7.6 ptt? -82.05 -37.34 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -56.14 -32.27 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.042 HG21 HD13 ' A' ' 79' ' ' LEU . 24.1 mm -86.26 -51.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.75 -40.9 73.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp0? -40.05 -37.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -74.67 112.77 18.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.94 -0.26 9.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -120.72 19.59 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 35.4 54.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 136.05 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 29' ' ' ILE . 1.7 pt? -170.21 -177.28 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.4 p -117.57 135.4 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -48.9 -46.12 42.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.438 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 31.1 t -48.72 -49.76 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -27.39 58.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.41 -49.75 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -50.44 -43.36 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.31 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 13.7 t80 -62.18 -31.33 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 32' ' ' PHE . 49.5 mm -82.32 -44.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -59.26 -55.82 29.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -48.96 -34.06 12.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -72.81 -52.76 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.13 122.32 32.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -36.75 66.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 3.0 m-85 -64.44 -40.25 95.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.03 -23.51 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -58.0 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' PHE . 8.5 ttpt -69.49 -56.33 7.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 1.2 t80 31.46 64.69 1.05 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 -23.05 14.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 174.85 54.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 5.4 m95 -70.33 -3.54 17.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -67.76 -75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 50' ' ' SER . 21.1 p30 -75.02 -28.52 60.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 41.5 t -57.39 -57.58 12.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 5.3 mt -64.58 -53.85 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -49.56 -38.3 30.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.814 ' CE1' HD22 ' A' ' 57' ' ' LEU . 6.7 t60 -61.46 -56.5 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 28.6 m120 -69.58 -8.51 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.697 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -83.13 -57.95 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -82.02 -48.58 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.024 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.814 HD22 ' CE1' ' A' ' 53' ' ' HIS . 1.3 tp -68.72 79.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.967 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 160.44 -49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.583 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -79.37 -64.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.8 t 95.34 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.81 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -117.79 -163.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.48 154.39 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 179.49 6.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' OE2' ' A' ' 67' ' ' GLU . 9.3 mm -119.8 118.55 31.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 -171.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PRO . 6.1 mt-10 -113.12 166.68 10.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 58.72 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.75 -75.78 1.17 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -139.76 124.82 11.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.58 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.54 -93.56 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.14 55.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.51 137.02 9.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 25' ' ' THR . 53.5 p-10 -162.0 -165.75 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 35.9 m-85 -135.4 144.67 46.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 7.2 m95 -137.74 142.48 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 59.1 m -140.89 137.48 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.042 HD13 HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -120.11 147.09 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.08 164.07 24.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.35 3.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' SER . 10.3 pt20 -121.91 -39.86 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.706 ' CB ' HD11 ' A' ' 79' ' ' LEU . 15.3 t -52.95 -43.33 66.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.79 -53.31 59.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.29 -37.72 84.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -60.3 -43.42 96.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.807 ' CE2' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.751 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.6 m-85 -52.38 -31.24 32.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.613 HG22 ' OD1' ' A' ' 58' ' ' ASN . 1.5 pp -58.97 -36.54 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.73 -41.63 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.5 mp -64.99 -48.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.848 HG21 ' CD1' ' A' ' 87' ' ' PHE . 22.0 m -50.1 -37.27 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ttp -79.95 -28.14 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HD13 ' A' ' 24' ' ' LEU . . . -72.39 -29.02 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.047 HD12 HD21 ' A' ' 24' ' ' LEU . 1.7 tp -87.42 -32.8 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -75.8 -34.57 60.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp0? -52.13 -37.6 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -74.23 110.82 10.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 -3.83 14.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.78 29.23 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 21' ' ' GLN . 1.4 mppt? 34.77 60.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 7.5 tttt -165.81 137.1 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.047 HD21 HD12 ' A' ' 16' ' ' ILE . 1.7 pt? -161.43 172.05 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ASN . 20.6 p -121.81 123.93 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -45.56 -42.07 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.528 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 4.6 m -65.49 -56.88 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.61 52.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.843 HG12 HD12 ' A' ' 24' ' ' LEU . 1.2 mp -69.13 -46.1 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.34 57.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.96 -41.72 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.94 -29.1 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' CD1' ' A' ' 37' ' ' PHE . 3.6 mt -82.29 -55.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 p -45.08 -33.27 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.952 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.65 -47.27 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -66.79 -57.36 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 33' ' ' ILE . 1.1 m-85 -102.51 110.5 63.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.94 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 40' ' ' TYR . 50.2 p90 -53.69 -33.47 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -61.01 -40.2 92.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -75.81 -17.58 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.2 mm-40 -72.51 -50.66 24.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -76.66 -50.33 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' TRP . 3.4 t80 16.73 64.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.04 -16.42 20.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 169.84 57.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.3 m95 -77.26 6.53 6.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 46' ' ' ALA . 1.3 tt0 -78.48 -76.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 50' ' ' SER . 22.6 p30 -74.94 -27.19 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 18.2 t -52.47 -58.1 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.623 HG13 ' N ' ' A' ' 52' ' ' ARG . 3.2 pt -71.96 -47.61 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -47.92 -35.55 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 2.9 t60 -72.81 -54.98 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -65.4 -10.93 37.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -82.85 -59.74 2.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 7.0 t -76.04 -50.43 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 4.9 mp -74.29 78.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.613 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 157.23 -52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -73.46 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER 92.73 52.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.759 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -121.49 -169.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.45 146.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.37 -179.26 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -119.39 119.33 31.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.49 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.76 163.54 34.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.49 4.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.57 -75.95 1.32 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.532 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -135.79 139.31 30.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -80.57 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 53.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.85 118.86 6.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' ' 25' ' ' THR . 8.8 p-10 -164.78 162.33 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.506 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.0 m-85 -129.67 148.46 51.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.643 ' CZ3' ' HG2' ' A' ' 63' ' ' LYS . 10.6 m95 -134.31 129.54 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 44.1 p -125.05 132.97 53.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.759 HD12 ' HD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -116.3 156.73 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -66.7 146.41 99.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.95 3.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 177.78 35.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.745 ' HB3' HD21 ' A' ' 79' ' ' LEU . 13.6 p -81.61 -34.33 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -51.95 55.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.58 -31.66 64.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -48.18 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.848 ' CD1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' ILE . 45.1 m-85 -87.7 -8.77 55.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.518 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.2 pp -38.98 -43.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -60.14 -50.89 71.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 37' ' ' PHE . 7.0 mt -59.81 -33.18 71.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 55' ' ' LEU . 20.3 mm -65.07 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.649 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.3 p -45.18 -38.52 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 22.8 ttp -78.54 -27.09 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -70.76 -36.71 73.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 55' ' ' LEU . 1.9 mp -81.75 -33.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -75.44 -44.87 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.0 pp0? -60.96 -15.4 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 p -124.66 68.35 52.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 -9.99 20.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.81 -5.91 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.88 74.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.73 118.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.879 HD23 HD11 ' A' ' 29' ' ' ILE . 2.7 mp -123.52 175.62 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 ' H ' HD12 ' A' ' 29' ' ' ILE . 1.7 t -166.88 114.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.865 HD11 ' NH2' ' A' ' 52' ' ' ARG . 2.6 tm? -45.58 -42.67 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 33.3 p -57.06 -51.47 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.45 -28.12 71.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.879 HD11 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.33 -59.03 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.0 t -56.09 -35.91 67.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.07 -23.34 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -31.55 37.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.542 HG23 ' CE1' ' A' ' 37' ' ' PHE . 25.7 mt -80.92 -55.15 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.8 p -43.72 -38.78 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.39 -35.26 62.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.602 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 4.8 mmt180 -78.35 -40.78 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -128.01 106.87 20.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -51.69 -40.74 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -61.32 -40.64 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.95 -16.11 58.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -45.59 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -44.81 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 46' ' ' ALA . 17.1 t80 52.78 73.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 34.52 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 65.64 57.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CE3' HD13 ' A' ' 51' ' ' ILE . 9.4 p-90 -90.33 -5.55 56.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -55.38 -37.48 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 26.9 m-20 -78.69 -31.32 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.438 ' CB ' ' CE1' ' A' ' 8' ' ' TYR . 10.9 m -61.93 -54.36 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.601 HD13 ' CE3' ' A' ' 47' ' ' TRP . 2.5 pt -65.37 -57.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.865 ' NH2' HD11 ' A' ' 26' ' ' LEU . 32.3 mtt180 -50.07 -38.64 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 20.6 t-80 -67.59 -56.69 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -63.62 -10.64 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -82.46 -57.33 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -51.12 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.3 mm? -74.21 77.28 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.02 -52.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -80.07 -63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 91.32 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 79' ' ' LEU . 3.3 p90 -125.77 -158.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.782 HG23 ' HB ' ' A' ' 78' ' ' THR . 29.9 m -116.6 162.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -148.44 167.16 26.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.3 tt -116.0 122.39 32.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -177.2 3.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -43.61 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.92 162.27 52.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.31 4.35 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.91 53.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 2.6 m120 -115.43 89.45 21.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.73 4.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.23 -55.92 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.53 59.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -113.09 67.4 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 3.2 p-10 -138.47 170.21 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.95 153.95 31.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CZ2' ' HB2' ' A' ' 26' ' ' LEU . 29.2 m0 -116.86 176.26 5.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.782 ' HB ' HG23 ' A' ' 62' ' ' VAL . 18.9 m -143.78 144.72 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -119.92 159.93 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -86.67 156.55 55.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.97 84.63 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER 166.66 43.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.432 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.5 t -77.19 -45.98 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.18 -49.3 76.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.47 94.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.404 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 19.8 ttp -62.23 -45.25 94.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' HG22 ' A' ' 13' ' ' THR . 3.4 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 84.9 m-85 -82.82 -27.18 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 9' ' ' ILE . 1.2 pp -46.38 -43.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.26 86.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.8 mt -61.61 -23.95 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm -78.6 -57.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.917 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.2 p -46.69 -34.59 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -83.08 -38.51 22.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.34 -38.52 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 79' ' ' LEU . 39.6 mm -81.6 -52.3 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -50.78 -44.89 58.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.33 -27.87 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.844 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -115.34 86.18 14.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -89.38 16.59 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 34.66 68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -178.96 112.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.844 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -157.07 174.25 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 75' ' ' ASN . 54.5 m -120.36 128.09 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.644 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -51.19 -44.42 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.403 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -57.99 -56.23 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.52 -26.22 56.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.416 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -72.12 -49.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -55.43 -36.21 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.73 -36.77 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -67.25 -31.47 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 32' ' ' PHE . 6.4 mt -74.22 -58.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -54.29 -27.58 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.43 -52.27 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 4.0 mmm180 -65.67 -57.5 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 11' ' ' LEU . 16.5 m-85 -91.4 116.63 66.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.68 -42.36 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -65.8 -33.02 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -71.5 -42.66 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -11.8 59.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 10.1 mttp -142.5 72.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -112.86 76.09 2.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -75.02 41.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 63.18 59.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CD1' ' CD1' ' A' ' 44' ' ' PHE . 36.2 p-90 -82.09 6.13 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.48 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.77 -45.18 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 89.9 m-20 -64.53 -37.77 88.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.3 m -66.55 -59.9 3.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 12' ' ' ILE . 2.1 tp -51.61 -60.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.65 -46.82 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 5.7 t60 -54.8 -58.1 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.87 -8.94 32.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.667 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -79.46 -52.25 8.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.649 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.6 -48.06 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.56 76.3 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.23 -59.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 10.6 m-20 -80.84 -58.16 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.91 76.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -131.61 -163.86 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -117.53 145.46 23.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.79 176.61 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 7.5 mm -118.2 105.03 47.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.97 158.94 42.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -24.64 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.6 mt-10 -120.11 170.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' OD1' ' A' ' 70' ' ' ASN . . . 158.9 40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 69' ' ' GLY . 3.0 m-20 -135.71 76.98 52.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.4 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.5 -73.63 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -143.88 61.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.81 76.21 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' CG ' HG23 ' A' ' 25' ' ' THR . 11.9 p-10 -109.91 -169.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.466 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 56.7 m-85 -148.57 142.18 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.6 m95 -134.8 135.21 41.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.5 m -127.74 136.06 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 80' ' ' ASP . 8.6 tt -118.24 167.93 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.915 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.2 m-20 -78.53 143.56 63.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.31 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 168.78 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' MET . 43.1 t -80.22 -48.09 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -32.1 69.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.89 -43.02 99.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -51.29 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.416 ' OG ' HG22 ' A' ' 9' ' ' ILE . 51.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 51' ' ' ILE . 40.7 m-85 -82.31 -22.15 35.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.927 HD11 ' OD1' ' A' ' 58' ' ' ASN . 3.7 tp -42.72 -38.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -67.44 -55.59 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 37' ' ' PHE . 41.9 mt -54.44 -35.89 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.711 HG13 HD13 ' A' ' 55' ' ' LEU . 1.6 mp -72.76 -39.41 59.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 23.8 m -52.76 -50.57 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 ptm -76.68 -23.92 53.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -63.17 -39.44 94.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.782 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -83.31 -38.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 1.5 mp -66.35 -50.0 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.6 pp0? -48.87 -27.81 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -117.37 73.14 7.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 -0.02 9.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 2.3 tt0 -69.6 -17.73 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 13.3 tttm 85.52 69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.83 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 mttt 179.28 128.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.83 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.3 mm? -127.54 170.37 12.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.59 ' H ' HD13 ' A' ' 29' ' ' ILE . 53.2 p -155.81 99.71 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -40.04 -40.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -66.3 -52.11 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.08 76.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 25' ' ' THR . 1.3 mp -70.87 -52.94 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t -55.83 -36.82 67.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -42.48 65.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.62 -28.86 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mm -80.74 -42.11 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -58.53 -49.93 75.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -39.42 78.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -72.13 -52.11 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 11' ' ' LEU . 54.6 m-85 -119.25 106.66 42.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' GLU . 18.2 Cg_endo -75.02 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -50.4 -40.86 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -43.41 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -15.71 55.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -76.23 -47.9 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.664 ' O ' ' N ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -112.53 31.15 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.4 t80 -20.48 82.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.98 39.91 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 58.6 59.45 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB2' ' A' ' 50' ' ' SER . 5.4 p-90 -95.83 31.38 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 8.7 tt0 -74.58 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -22.24 62.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -58.68 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.549 ' HB ' HD11 ' A' ' 12' ' ' ILE . 38.9 pt -68.15 -47.01 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 56' ' ' SER . 0.0 OUTLIER -55.05 -33.43 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.514 ' NE2' HD22 ' A' ' 57' ' ' LEU . 11.4 t-80 -68.93 -53.96 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -68.48 -12.12 60.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 16' ' ' ILE . 8.9 tp -83.47 -56.84 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -82.02 -50.25 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -73.69 75.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.927 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 158.64 -47.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -80.74 -44.67 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.9 m 66.21 61.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -118.53 -159.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 78' ' ' THR . 7.4 t -120.04 149.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -137.0 169.7 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.6 tt -118.15 129.77 25.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.96 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -45.28 115.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -89.94 140.64 27.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.03 -18.75 18.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 -58.19 14.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.11 114.8 7.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.4 Cg_endo -75.01 -92.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 17.16 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 71' ' ' PRO . 2.6 mtmp? -140.12 37.73 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.3 105.26 3.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.542 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.3 p-10 -157.6 163.06 38.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -151.79 148.35 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 19.3 m0 -118.1 150.3 39.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.054 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.545 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m -121.11 138.6 54.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.1 tt -117.13 148.0 41.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.75 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -91.03 167.91 14.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.07 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 164.88 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -56.11 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -49.13 76.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.26 -40.07 84.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.9 -51.06 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 9.8 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 50' ' ' SER . 99.1 m-85 -63.52 -45.98 88.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.775 HD11 ' OD1' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -38.81 -47.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.63 -49.79 75.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.5 mm? -59.24 -34.05 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.94 HD12 ' HG ' ' A' ' 55' ' ' LEU . 33.5 mm -69.24 -60.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 9' ' ' ILE . 68.7 p -41.49 -38.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mmm -77.16 -37.03 54.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB1' ' CG1' ' A' ' 29' ' ' ILE . . . -64.91 -30.92 71.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 HD13 HD11 ' A' ' 24' ' ' LEU . 33.0 mm -86.06 -51.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 13' ' ' THR . 3.2 mp -55.6 -48.45 74.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.5 pp0? -48.97 -24.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 p -120.31 72.88 20.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -74.99 -5.36 16.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.4 tt0 -69.29 -94.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 174.72 69.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -178.79 127.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 16' ' ' ILE . 1.8 mm? -124.48 160.63 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.3 m -154.13 113.02 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.0 tm? -55.3 -56.81 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -49.8 -52.13 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.953 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 -37.13 92.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.632 ' CG1' ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -63.74 -59.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 29' ' ' ILE . 53.4 t -45.0 -41.0 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 108.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -44.37 86.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.11 -18.66 64.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.725 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 39.3 mm -79.97 -51.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.5 p -60.4 -50.58 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -45.16 81.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 7.4 mmm180 -66.73 -49.72 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -127.33 118.72 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -51.21 -38.34 51.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.645 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 11.9 m-30 -62.35 -40.69 97.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -9.4 59.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -52.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 44' ' ' PHE . 1.3 ttmp? -78.44 -54.34 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 2.0 t80 26.38 62.94 0.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -75.0 -10.83 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 163.47 55.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CZ3' HG21 ' A' ' 33' ' ' ILE . 5.7 m95 -76.51 -2.11 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.49 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.2 tm0? -79.0 -54.95 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.44 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.32 -38.64 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 8' ' ' TYR . 50.9 m -60.2 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.619 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 14.8 mm -53.72 -61.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 12.8 mtm-85 -48.86 -36.11 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' NE2' HD22 ' A' ' 57' ' ' LEU . 1.6 t-80 -65.04 -60.59 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.46 ' CB ' HG13 ' A' ' 12' ' ' ILE . 28.5 m-80 -67.16 -10.06 46.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.94 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -82.95 -57.17 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.78 -49.77 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' NE2' ' A' ' 53' ' ' HIS . 1.9 tt -73.95 76.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.775 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER 162.41 -62.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 27.2 m-20 -66.84 -60.8 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 87.12 55.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.789 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -118.11 -163.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m -116.78 151.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 3.7 mtmm -132.85 167.29 20.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.881 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.1 tt -114.68 121.03 36.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 116.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.33 163.88 16.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.25 3.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.95 46.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 1.4 m-20 -119.6 93.86 47.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.4 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.65 -41.19 2.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -144.14 65.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -133.81 74.99 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.722 ' O ' HG23 ' A' ' 25' ' ' THR . 33.7 p-10 -137.96 -173.35 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.881 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -161.91 151.98 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 21.3 m0 -119.95 175.81 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.994 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 39.1 m -145.58 124.03 12.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 ' HD2' ' A' ' 61' ' ' PHE . 4.5 tt -114.93 153.43 30.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.98 146.54 55.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG3' ' CE ' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 78.37 2.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 179.31 40.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -80.26 -39.1 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.52 -45.09 81.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -42.4 92.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.19 -36.44 75.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.502 ' CZ ' HG22 ' A' ' 13' ' ' THR . 3.8 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CZ ' ' CZ2' ' A' ' 47' ' ' TRP . 4.9 m-30 -45.51 -44.0 12.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.012 ' O ' HG23 ' A' ' 13' ' ' THR . 16.8 pt -45.72 -41.8 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.01 -56.34 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.593 HD13 ' CE2' ' A' ' 37' ' ' PHE . 51.8 mt -55.96 -25.94 45.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -51.38 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 1.012 HG23 ' O ' ' A' ' 9' ' ' ILE . 45.7 p -48.93 -39.5 26.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 8.9 ptm -78.11 -28.76 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . . . -74.2 -29.33 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.764 HD12 ' HG ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.55 -33.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 84' ' ' GLU . 2.2 mp -68.35 -24.07 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -67.07 -23.45 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -118.7 73.07 11.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 -3.92 14.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.42 -0.96 24.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 79' ' ' LEU . 1.2 ttpp 71.48 65.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.4 pttt -172.36 127.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.764 ' HG ' HD12 ' A' ' 16' ' ' ILE . 4.0 mm? -133.81 173.17 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 75' ' ' ASN . 81.6 m -156.85 107.09 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -42.66 -46.49 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 34.0 t -57.67 -52.6 64.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' PHE . . . -64.91 -22.7 68.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.691 HD13 HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -78.18 -45.84 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -60.96 -33.64 73.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -41.1 27.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.6 -34.54 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.835 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.1 mt -83.91 -47.7 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 m -53.33 -44.71 68.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.62 -43.45 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -68.53 -38.32 80.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 11' ' ' LEU . 3.2 m-85 -118.48 104.04 48.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.05 -36.91 2.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -67.07 -40.0 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -65.05 -52.65 54.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.625 ' HA ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.95 -15.32 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -77.01 -49.7 14.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -78.63 -48.72 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.686 ' CE1' ' CB ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 24.28 64.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.538 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -74.94 -12.91 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 173.15 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.851 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 2.1 m95 -70.12 -6.49 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 6.6 tt0 -70.34 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.527 ' HA ' ' CD ' ' A' ' 52' ' ' ARG . 80.2 m-20 -76.69 -25.29 53.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 2.4 m -63.78 -59.44 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.851 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 6.6 tp -63.25 -56.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -48.5 -37.28 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.843 ' CE1' HD22 ' A' ' 57' ' ' LEU . 31.9 t60 -64.38 -56.61 13.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.604 HD22 HG23 ' A' ' 9' ' ' ILE . 8.4 m120 -68.76 -10.01 54.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -84.14 -55.48 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 p -77.49 -51.23 11.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -70.95 75.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER 168.56 -71.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.633 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 5.7 m-20 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.91 56.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.329 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.927 ' HB3' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -115.14 -161.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 ' HB ' ' A' ' 78' ' ' THR . 35.2 m -116.52 159.27 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HE3' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 ptmt -141.8 166.62 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.1 pp -117.22 122.51 31.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.558 ' O ' HD12 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.0 -170.04 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.57 104.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -95.0 165.27 17.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.442 ' CD ' ' HG2' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 56.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.408 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 165.74 47.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 84.6 m-20 -136.04 59.94 31.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.98 100.94 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.95 -97.26 0.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.59 54.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.47 147.3 16.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' THR . 14.1 p-10 179.62 -176.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.724 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.4 m-85 -159.49 141.28 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.597 ' CZ3' ' HE3' ' A' ' 63' ' ' LYS . 18.9 m0 -118.06 164.7 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.544 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.8 m -135.81 120.26 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD22 ' H ' ' A' ' 80' ' ' ASP . 1.4 tm? -121.58 140.63 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.936 ' H ' HD22 ' A' ' 79' ' ' LEU . 3.0 t70 -66.34 147.58 98.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.03 86.39 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 164.92 40.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.8 t -80.63 -25.44 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -84.76 -39.81 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.6 -45.84 92.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -11.84 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.902 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.3 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' O ' HD13 ' A' ' 12' ' ' ILE . 14.5 m-85 -81.28 -28.07 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.873 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -45.09 -40.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.04 -52.58 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 37' ' ' PHE . 1.4 mm? -61.22 -29.82 70.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.7 mp -68.66 -55.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' ILE . 69.2 p -47.78 -40.88 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttp -74.3 -30.2 61.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -68.16 -42.22 80.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -74.39 -33.62 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 13' ' ' THR . 3.6 mm? -69.96 -34.51 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -68.87 -19.56 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 21' ' ' GLN . 5.9 p -125.76 67.09 58.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.96 40.59 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 19' ' ' SER . 16.2 tt0 -122.65 -5.82 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER 70.59 59.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttm 179.92 106.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.702 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -145.37 152.96 40.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' ASN . 24.5 m -108.09 114.85 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -43.39 -49.7 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 35.8 t -51.47 -52.76 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.97 -28.74 72.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 mp -67.94 -56.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.8 t -50.52 -40.92 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.74 -36.85 83.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -72.74 -20.03 61.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 32' ' ' PHE . 19.1 mm -80.76 -40.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -61.42 -54.96 36.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.92 -40.46 57.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.76 -51.13 17.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 41.6 m-85 -122.72 112.45 30.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -53.3 -40.73 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.4 m-30 -63.45 -40.49 97.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -16.13 56.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.11 -50.77 18.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 44' ' ' PHE . 6.8 tttp -80.11 -50.68 9.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.648 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER 25.2 66.24 0.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.74 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.0 -12.54 21.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.553 1.817 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 159.47 62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.5 m95 -83.05 14.8 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 52' ' ' ARG . 4.4 tm0? -80.65 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 50' ' ' SER . 16.5 p30 -77.93 -28.08 49.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 46' ' ' ALA . 70.3 m -57.88 -57.99 10.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 47' ' ' TRP . 1.7 mp -68.75 -45.57 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 4.8 mtt180 -53.14 -38.91 63.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -67.99 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.494 ' CG ' HG22 ' A' ' 9' ' ' ILE . 1.2 m-20 -57.7 -14.29 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -79.98 -51.31 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 9.0 t -80.06 -51.65 8.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 3.9 mm? -72.44 76.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 2.4 m120 170.73 -59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 62.0 m-20 -76.05 -48.77 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.35 67.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -129.75 -166.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 ' HB ' ' A' ' 78' ' ' THR . 34.6 m -118.62 153.39 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -135.0 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.2 tt -121.41 128.6 25.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB2' ' NH1' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -38.13 111.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 9.0 tp10 -88.54 137.89 30.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 81.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.44 -61.52 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 13.9 p-10 -117.06 97.34 50.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.1 Cg_endo -75.07 -93.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 15.04 -90.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' PRO . 6.9 mtmt -139.92 34.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.47 122.51 6.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.162 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 25' ' ' THR . 15.5 p-10 -163.02 179.01 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 1.049 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -154.86 140.6 18.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 63' ' ' LYS . 14.2 m0 -118.69 139.91 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.488 ' HB ' HG23 ' A' ' 62' ' ' VAL . 89.0 m -117.37 135.76 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.4 tt -116.29 160.57 20.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.677 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.1 m-20 -68.97 151.5 97.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -74.96 78.74 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.8 mt-30 167.44 46.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.538 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.9 t -77.49 -47.19 20.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.58 -32.26 72.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.32 -55.37 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 83' ' ' SER . 12.7 ptm -63.03 -12.9 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CE1' ' HB ' ' A' ' 13' ' ' THR . 2.5 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 2' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mttt 69.8 140.4 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 168.9 23.81 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.29 29.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.98 165.9 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.452 ' HB3' ' OP2' ' B' ' 256' ' ' ' DA' . 88.0 p -68.74 119.52 13.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' OH ' ' CZ2' ' A' ' 47' ' ' TRP . 4.1 m-30 -81.3 -32.04 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.998 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.36 -37.77 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.55 -54.26 42.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.56 -33.18 69.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.4 mp -67.37 -59.33 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.998 HG23 ' O ' ' A' ' 9' ' ' ILE . 81.6 p -45.62 -38.91 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 29.6 ttp -75.65 -32.92 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.826 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -67.14 -32.54 73.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.061 HG12 HD13 ' A' ' 79' ' ' LEU . 6.5 tp -84.38 -43.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD11 ' CD2' ' A' ' 87' ' ' PHE . 67.2 mt -63.61 -45.22 91.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -52.95 -18.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.54 ' OG ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -115.77 78.62 7.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -3.43 19.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt 67.34 64.97 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 179.1 152.13 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.724 HD22 HD12 ' A' ' 16' ' ' ILE . 12.1 tp -164.74 159.89 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -136.05 125.24 24.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -47.2 -49.56 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.538 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 m -62.31 -46.96 86.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.35 72.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -66.7 -45.33 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.3 t -55.37 -33.97 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -78.33 -42.92 29.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.797 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -61.84 -29.22 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.722 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 16.7 mm -81.29 -56.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' CD ' ' A' ' 41' ' ' ARG . 22.1 p -55.25 -33.16 62.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -71.38 -32.78 68.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -80.11 -50.82 9.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CB ' ' CD2' ' A' ' 40' ' ' TYR . 62.3 m-85 -113.51 118.4 43.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -52.21 -37.37 54.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 13.1 m-30 -66.7 -36.85 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 34' ' ' SER . 4.1 ttp180 -80.06 -13.94 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -81.7 -55.61 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -75.56 -53.01 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 1.4 t80 36.07 61.74 2.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 43.82 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 91.43 66.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.863 ' CE3' HD11 ' A' ' 51' ' ' ILE . 7.9 m95 -82.06 -0.05 42.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.539 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.3 tm0? -68.88 -60.85 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.58 -34.37 60.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -54.67 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.863 HD11 ' CE3' ' A' ' 47' ' ' TRP . 26.6 mm -65.58 -58.69 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.539 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 10.9 mtt180 -49.85 -33.18 16.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.697 ' CD2' ' H71' ' B' ' 257' ' ' ' DT' . 43.7 t60 -68.82 -57.42 5.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.552 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 14.1 m-80 -69.48 -12.65 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -83.57 -54.34 5.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -80.61 -50.67 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -68.44 80.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.28 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -66.21 -46.54 76.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 15.0 m 68.46 64.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -115.86 -163.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' THR . 47.4 t -117.38 137.33 51.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -122.58 169.37 11.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG12 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -118.38 121.94 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -41.05 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -106.72 169.08 7.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.67 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.74 43.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -134.82 64.32 62.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -75.02 79.63 2.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.11 -80.14 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 54.07 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ASN . . . -116.92 77.41 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.46 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 9.3 p-10 -111.81 -174.54 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CB ' HG12 ' A' ' 64' ' ' ILE . 1.8 m-85 -145.94 136.01 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.587 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 8.5 m0 -125.73 129.63 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' VAL . 23.8 m -119.82 130.49 54.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.061 HD13 HG12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.04 145.14 45.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.32 170.4 10.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 66.43 6.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.68 -43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 79' ' ' LEU . 9.9 t -54.93 -54.27 44.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.26 -17.09 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -79.92 -51.49 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 3.5 ptt? -66.85 -16.3 64.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -89.67 -53.78 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -42.66 54.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -51.7 -54.91 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.6 -152.26 1.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.0 p -149.45 45.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 65.99 52.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.62 112.21 22.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -101.79 62.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' CZ ' ' NH2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 169.58 -60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 59.56 62.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 37.36 64.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' NH2' " O4'" ' B' ' 255' ' ' ' DA' . 5.3 ttt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.58 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.149 -27.016 3 C5'-C4'-O4' 92.75 -10.406 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.58 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.369 4 O4'-C4'-C3' 95.961 -9.639 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.571 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.594 13.497 3 C5'-C4'-O4' 155.217 28.636 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.646 4 C5'-C4'-O4' 144.306 21.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.54 8.585 3 C5'-C4'-O4' 152.65 27.032 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.498 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.081 -33.148 3 C5'-C4'-O4' 138.357 18.098 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.667 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.166 -25.437 3 C5'-C4'-O4' 141.626 20.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.276 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.63 16.765 3 C5'-C4'-O4' 157.043 29.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.697 ' H71' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.372 -6.692 4 C5'-C4'-O4' 144.729 22.08 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.764 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.472 2.408 3 C5'-C4'-O4' 124.021 9.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.451 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.542 8.697 3 C5'-C4'-O4' 136.211 16.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.323 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.698 22.869 3 C5'-C4'-O4' 156.788 29.617 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 0.474 ' C2 ' ' C2 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.498 3 C5'-C4'-O4' 140.648 19.53 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.449 " C2'" ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.526 7.271 4 C5'-C4'-O4' 146.879 23.424 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.205 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.759 28.474 3 C5'-C4'-O4' 153.225 27.391 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.22 4 C5'-C4'-O4' 148.686 24.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.567 10.965 3 C5'-C4'-O4' 139.95 19.094 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.461 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.39 -5.11 4 O4'-C4'-C3' 97.22 -8.38 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.429 3 O4'-C4'-C3' 94.383 -11.217 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.566 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 134.397 15.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.566 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.475 4 C5'-C4'-O4' 124.921 9.701 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.46 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.572 11.467 3 C5'-C4'-O4' 154.2 28.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.498 ' N7 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.605 14.489 3 O4'-C4'-C3' 93.362 -12.238 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.466 ' H71' H2'' ' C' ' 354' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.485 3.577 3 C5'-C4'-O4' 135.116 16.072 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.444 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.494 4.407 4 C5'-C4'-O4' 144.209 21.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.343 3 C5'-C4'-O4' 129.079 12.3 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.614 ' H72' " H2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.405 -3.739 4 C5'-C4'-O4' 151.384 26.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.312 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.7 23.123 3 C5'-C4'-O4' 159.229 31.143 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.641 ' H71' " C2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.464 1.641 4 O4'-C4'-C3' 96.693 -8.907 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.477 2.846 4 C5'-C4'-O4' 145.383 22.49 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.309 -12.442 3 C5'-C4'-O4' 139.242 18.651 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.593 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.413 3 O4'-C4'-C3' 100.722 -4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.593 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.235 3 O4'-C4'-C3' 93.865 -11.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.249 -17.91 3 C5'-C4'-O4' 95.507 -8.683 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.843 HG11 ' CE1' ' A' ' 39' ' ' TYR . 62.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.617 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 1.9 mptt -108.73 -65.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.04 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.01 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 13.5 p90 -68.66 155.58 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p -114.75 -100.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 18.6 m-85 -81.25 -41.24 22.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.605 HG23 ' OP2' ' B' ' 256' ' ' ' DA' . 2.6 pp -41.64 -32.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 6' ' ' TYR . . . -78.9 -55.53 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 37' ' ' PHE . 53.3 mt -49.04 -34.01 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 51' ' ' ILE . 21.1 mm -74.53 -50.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.617 HG22 HD22 ' A' ' 17' ' ' LEU . 50.2 m -45.13 -39.11 5.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -40.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -54.68 -38.25 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 79' ' ' LEU . 38.4 mm -81.78 -53.95 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -50.37 -43.0 54.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.09 -24.19 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 13.4 p -123.32 74.66 51.48 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.82 19.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -70.11 -94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 4.7 tttp 178.79 68.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -176.43 143.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.824 HD22 ' O ' ' A' ' 23' ' ' LYS . 2.7 mm? -142.3 159.01 43.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 p -144.34 94.96 2.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.1 tm? -44.71 -47.88 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 89.7 p -61.09 -56.57 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.79 -45.52 94.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.484 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mp -57.5 -42.93 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.1 t -57.15 -46.87 82.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -31.88 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -69.63 -29.58 67.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.422 HG23 ' HD1' ' A' ' 37' ' ' PHE . 4.3 mt -77.51 -55.16 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -50.9 -38.3 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.43 -49.61 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -64.68 -55.24 21.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -114.95 91.67 27.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.843 ' CE1' HG11 ' A' ' 2' ' ' VAL . 14.9 p90 -52.47 -38.17 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.9 t80 -59.21 -37.4 77.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -32.78 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.28 -10.58 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -109.68 1.09 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 1.1 t80 -176.95 68.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 80.78 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . 171.5 59.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -110.91 40.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' OE1' ' OD1' ' A' ' 49' ' ' ASN . 13.4 tt0 -78.94 -61.02 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.488 ' HB2' ' N7 ' ' B' ' 258' ' ' ' DA' . 0.7 OUTLIER -78.04 -37.0 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.626 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -53.88 -53.19 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG23 HD11 ' A' ' 12' ' ' ILE . 9.2 mm -68.52 -47.75 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' NH1' ' N7 ' ' C' ' 354' ' ' ' DG' . 27.5 mtt180 -55.75 -25.13 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.687 ' CE1' HD22 ' A' ' 57' ' ' LEU . 51.0 t60 -78.64 -53.76 6.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.31 -13.08 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -82.66 -56.45 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.629 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -80.24 -49.07 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -78.38 73.43 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER 160.37 -41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 1.1 m-20 -76.51 -44.65 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.5 m 69.29 54.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.304 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.31 -152.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 78' ' ' THR . 27.3 m -130.86 164.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CE ' " H3'" ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -141.38 171.12 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -119.53 122.19 29.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.1 Cg_endo -75.03 -169.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' " H5'" ' B' ' 265' ' ' ' DC' . 0.8 OUTLIER -61.13 73.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -81.51 -59.03 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.99 53.1 4.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -71.69 155.83 91.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.01 2.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.38 -111.27 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HA ' " O3'" ' C' ' 352' ' ' ' DT' . 0.3 OUTLIER -142.76 58.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.27 87.1 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 16.9 p-10 -127.61 171.26 11.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 1.014 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -149.21 141.16 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 17.4 m0 -119.26 149.94 40.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.467 ' HB ' HG23 ' A' ' 62' ' ' VAL . 22.5 m -119.3 126.98 52.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.8 tt -117.23 149.84 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.841 ' O ' HD23 ' A' ' 79' ' ' LEU . 12.0 t70 -72.86 145.0 86.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.02 82.97 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 168.39 40.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.432 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -72.53 -38.07 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.97 -36.47 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.32 -58.16 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 83' ' ' SER . 4.0 ptt? -59.92 -15.01 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -82.76 -46.22 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -114.42 37.6 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.55 -171.78 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.85 70.37 3.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.94 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 65.99 58.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.78 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.524 ' NH2' ' NH1' ' A' ' 98' ' ' ARG . 23.6 tpt180 -179.09 143.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.547 ' NH1' ' CZ ' ' A' ' 98' ' ' ARG . 2.4 mtt85 -54.65 -55.76 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 79.29 -59.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -43.23 -44.86 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' CZ ' ' NH1' ' A' ' 95' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.474 2.519 4 O4'-C4'-C3' 95.182 -10.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.552 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.465 1.724 4 C5'-C4'-O4' 95.644 -8.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.552 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.607 14.654 3 C5'-C4'-O4' 151.794 26.496 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.59 13.06 3 C5'-C4'-O4' 154.301 28.063 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.577 11.908 3 C5'-C4'-O4' 155.749 28.968 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.571 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.068 -34.332 3 C5'-C4'-O4' 133.288 14.93 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.269 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.682 21.458 3 C5'-C4'-O4' 150.863 25.914 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.228 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.748 27.415 3 C5'-C4'-O4' 144.338 21.836 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.603 ' H73' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.6 13.959 3 C5'-C4'-O4' 155.611 28.882 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.488 ' N7 ' ' HB2' ' A' ' 49' ' ' ASN . . . . . . . . 0 C3'--C2' 1.504 -1.412 4 C5'-C4'-O4' 148.545 24.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.483 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.517 6.462 3 C5'-C4'-O4' 129.273 12.421 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.213 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.763 28.851 3 C5'-C4'-O4' 155.202 28.626 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.607 14.606 3 C5'-C4'-O4' 141.277 19.923 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.591 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.515 6.287 4 C5'-C4'-O4' 144.017 21.636 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.268 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.775 29.896 3 C5'-C4'-O4' 153.95 27.844 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.418 4 C5'-C4'-O4' 151.532 26.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.427 " H5'" ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.584 4 C5'-C4'-O4' 123.868 9.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.493 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.377 -6.247 4 O4'-C4'-C3' 98.726 -6.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.493 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.531 7.736 4 O4'-C4'-C3' 95.423 -10.177 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.606 " C2'" ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.543 8.849 3 C5'-C4'-O4' 153.569 27.606 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.751 " H2'" ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.088 -32.554 3 C5'-C4'-O4' 127.198 11.124 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.751 ' H72' " H2'" ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.845 3 C5'-C4'-O4' 151.771 26.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.543 ' C8 ' ' H72' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.549 9.337 4 C5'-C4'-O4' 130.423 13.14 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.543 ' H72' ' C8 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.477 2.83 4 C5'-C4'-O4' 133.753 15.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.445 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.4 -4.197 4 C5'-C4'-O4' 141.102 19.814 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.614 ' C8 ' ' H72' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.58 12.173 3 C5'-C4'-O4' 143.609 21.38 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.614 ' H72' ' C8 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.108 4 C5'-C4'-O4' 151.621 26.388 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.744 " C4'" ' OP1' ' C' ' 360' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.406 -3.596 2 C5'-C4'-O4' 99.714 -6.054 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.744 ' OP1' " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.407 -3.522 4 C5'-C4'-O4' 83.453 -16.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.564 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.504 5.296 3 C5'-C4'-O4' 137.691 17.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.525 7.201 4 C5'-C4'-O4' 150.716 25.822 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.589 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.393 -4.848 2 C1'-O4'-C4' 116.024 4.517 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.589 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.158 3 O4'-C4'-C3' 93.763 -11.837 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.22 -20.566 3 C5'-C4'-O4' 96.789 -7.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.671 HG21 ' HB3' ' A' ' 39' ' ' TYR . 34.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.647 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -139.48 -66.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.828 ' HB3' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 106.69 2.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.01 -31.39 6.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -81.46 -160.71 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.451 ' CB ' " H3'" ' B' ' 256' ' ' ' DA' . 37.7 m -105.54 -158.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.961 ' HB3' HD12 ' A' ' 51' ' ' ILE . 31.3 m-85 -69.17 -31.67 70.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 tt -51.06 -52.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -61.1 -50.28 73.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 4' ' ' PRO . 59.3 mt -54.21 -28.52 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.95 HD12 HD13 ' A' ' 55' ' ' LEU . 5.6 mm -78.01 -59.21 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.816 ' O ' HD23 ' A' ' 17' ' ' LEU . 29.4 p -39.7 -36.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.3 ttp -80.96 -45.78 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -56.26 -33.66 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 55' ' ' LEU . 39.6 mm -77.77 -51.32 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 13' ' ' THR . 4.1 mm? -57.13 -40.06 76.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -47.4 -28.32 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 3.8 p -119.08 77.57 16.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.78 14.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -71.42 -91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 173.25 73.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.976 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -177.84 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.976 HD22 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -149.37 175.25 11.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' HD13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 179.59 110.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.5 tm? -50.38 -50.79 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -49.82 -49.51 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 -39.1 85.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.3 mp -59.87 -63.09 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.0 t -48.85 -41.24 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -36.66 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.7 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -81.89 -19.34 41.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 5.8 mm -74.21 -40.43 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -71.21 -45.69 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -51.05 -42.17 60.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -75.63 -45.82 35.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.726 ' HE2' HD22 ' A' ' 11' ' ' LEU . 12.5 m-85 -125.84 106.44 25.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.671 ' HB3' HG21 ' A' ' 2' ' ' VAL . 7.0 t80 -50.77 -37.49 42.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -40.43 96.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -80.36 -18.66 48.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -50.71 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -78.29 -49.48 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 10.9 t80 43.15 73.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.01 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 68.5 59.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.4 p-90 -97.15 28.09 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 107.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -71.69 -69.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' CG ' ' H62' ' B' ' 259' ' ' ' DA' . 23.3 p30 -71.07 -22.78 62.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' OG ' ' CE2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -62.46 -54.95 32.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.961 HD12 ' HB3' ' A' ' 8' ' ' TYR . 3.6 tp -66.92 -43.07 89.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 16.2 mtt180 -61.27 -32.26 72.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.489 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 2.2 t60 -68.05 -59.55 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.67 -13.11 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 12' ' ' ILE . 10.3 tp -82.57 -52.34 6.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.597 ' OG ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.48 -55.0 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.051 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.597 HD22 ' OG ' ' A' ' 56' ' ' SER . 4.3 mm? -72.31 82.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 165.42 -54.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.4 m-20 -81.56 -46.73 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.4 t 76.28 62.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.332 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -119.22 -162.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 13.6 t -119.71 149.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.671 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -134.17 168.41 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.959 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.8 tt -118.4 120.28 32.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.517 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -74.99 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 65' ' ' PRO . 4.7 mtm-85 -33.58 116.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -105.88 120.69 48.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.21 2.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.29 -36.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -123.95 91.68 49.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 150.35 -96.68 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.52 55.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.42 100.57 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.525 ' CG ' ' N ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -142.9 170.94 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.959 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.6 151.47 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.671 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 20.5 m0 -121.03 148.0 44.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 41.4 m -117.68 141.5 48.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -118.84 144.28 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.7 160.97 62.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 179.44 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 p -80.01 -55.63 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -16.6 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.65 -49.81 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -71.45 -17.73 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -88.53 -36.32 16.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -52.05 -29.74 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -56.06 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.36 -53.46 4.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER 69.64 59.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.02 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.09 39.24 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 91' ' ' SER . 0.3 OUTLIER -131.47 90.87 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.476 ' NH1' ' OP1' ' B' ' 256' ' ' ' DA' . 0.1 OUTLIER -84.65 43.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' NH1' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -144.86 -71.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 6.6 ttp180 78.73 -71.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -169.4 124.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NH2' ' N3 ' ' B' ' 254' ' ' ' DA' . 3.6 mtp180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.495 4.463 3 O4'-C4'-C3' 94.249 -11.351 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.658 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.456 4 C5'-C4'-O4' 96.883 -7.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 1.354 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.649 18.496 3 C5'-C4'-O4' 156.631 29.52 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.559 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.416 4 C5'-C4'-O4' 141.697 20.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 12.038 3 C5'-C4'-O4' 152.298 26.811 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.521 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.076 -33.653 3 C5'-C4'-O4' 136.218 16.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.857 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.143 -27.566 3 C5'-C4'-O4' 141.054 19.784 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.296 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.704 23.474 3 C5'-C4'-O4' 158.299 30.562 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.597 ' H72' ' C8 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.474 2.543 4 C5'-C4'-O4' 146.024 22.89 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.608 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.52 6.718 4 C5'-C4'-O4' 150.869 25.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 1.259 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.64 17.639 3 C5'-C4'-O4' 152.042 26.651 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.129 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.867 38.276 3 C5'-C4'-O4' 157.992 30.37 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.318 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.667 20.071 3 C5'-C4'-O4' 151.583 26.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.597 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.55 9.435 4 C5'-C4'-O4' 152.158 26.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.597 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.622 15.993 3 C5'-C4'-O4' 149.922 25.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.493 4.269 4 C5'-C4'-O4' 129.451 12.532 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.521 6.815 4 C5'-C4'-O4' 144.985 22.24 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.461 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.374 -6.53 4 O4'-C4'-C3' 98.342 -7.258 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.573 11.558 3 O4'-C4'-C3' 94.561 -11.039 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.587 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.474 4 C5'-C4'-O4' 136.96 17.225 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.587 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.402 -4.025 3 C1'-O4'-C4' 115.852 4.394 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.517 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.627 16.428 3 C5'-C4'-O4' 155.681 28.926 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.584 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.537 8.288 4 C5'-C4'-O4' 141.454 20.034 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.575 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.571 11.377 3 C5'-C4'-O4' 151.82 26.512 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.489 ' C2 ' ' N7 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.328 -10.691 4 C5'-C4'-O4' 145.588 22.618 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.608 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.179 -24.305 3 C5'-C4'-O4' 88.203 -13.248 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.608 ' H72' " H2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.111 3 C5'-C4'-O4' 154.535 28.21 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.139 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.81 33.069 3 O4'-C4'-C3' 79.744 -25.856 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.444 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.463 4 C5'-C4'-O4' 91.741 -11.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.414 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.601 14.097 3 C5'-C4'-O4' 151.474 26.296 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.419 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.354 -8.354 4 C5'-C4'-O4' 139.348 18.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.579 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.674 2 O4'-C1'-N19 111.162 4.202 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.579 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.624 16.144 3 O4'-C4'-C3' 92.863 -12.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.209 -21.535 3 C5'-C4'-O4' 95.876 -8.453 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.87 HG21 ' HG3' ' A' ' 43' ' ' LYS . 42.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.91 95.93 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.93 113.85 3.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 18.4 Cg_endo -75.0 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -141.16 -173.11 3.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.465 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 41.0 t -94.19 -163.97 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.724 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.7 m-85 -75.02 -29.66 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 13' ' ' THR . 13.3 tt -40.6 -29.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -74.79 -51.87 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 33' ' ' ILE . 11.1 mp -58.91 -29.06 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 8' ' ' TYR . 3.2 mp -77.47 -56.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 9' ' ' ILE . 3.2 p -44.13 -35.68 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.1 ttp -80.4 -42.23 23.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -58.53 -35.91 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.664 HG13 HD11 ' A' ' 24' ' ' LEU . 1.5 mp -79.01 -49.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 13' ' ' THR . 2.1 mm? -55.9 -31.8 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.81 -17.59 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 p -127.55 68.16 73.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.04 -4.31 15.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.45 -89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 173.32 64.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.12 146.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 16' ' ' ILE . 10.5 mt -144.38 169.27 18.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' C ' ' A' ' 24' ' ' LEU . 36.6 p -156.09 100.24 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.1 tp -45.37 -41.49 9.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -54.49 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -28.0 72.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' CD2' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.38 -44.11 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.6 t -62.32 -37.24 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.87 -37.2 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.25 -34.24 77.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.657 ' CG2' HD23 ' A' ' 11' ' ' LEU . 1.6 mt -81.69 -53.92 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -46.28 -43.38 15.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -48.57 73.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -58.64 -39.92 81.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CE1' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -129.97 93.97 32.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -20.88 16.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.757 ' CE1' HG22 ' A' ' 2' ' ' VAL . 2.0 t80 -80.77 -28.87 36.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HH ' ' HE1' ' A' ' 8' ' ' TYR . 2.2 t80 -65.32 -62.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -52.45 -32.22 38.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.74 -22.93 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.87 ' HG3' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -100.19 19.24 16.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -154.22 94.14 2.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.1 Cg_endo -75.07 18.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 175.27 82.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 44.6 p-90 -125.92 31.41 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 2.0 tm0? -81.58 -48.3 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 77.7 m-20 -72.58 -39.94 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 3.3 m -47.7 -57.46 5.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -65.93 -42.75 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.903 ' NE ' ' H72' ' C' ' 355' ' ' ' DT' . 0.6 OUTLIER -54.99 -31.6 61.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.625 ' CE1' ' N7 ' ' B' ' 256' ' ' ' DA' . 9.0 t-80 -73.6 -56.67 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.682 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -67.5 -14.51 63.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.613 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 2.2 tp -84.86 -58.37 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.565 ' CB ' ' NH1' ' A' ' 52' ' ' ARG . 15.9 p -77.36 -51.16 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -80.92 83.6 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.17 -64.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.588 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -67.9 -49.34 62.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER 80.57 63.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.613 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -126.39 -164.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' HB ' ' A' ' 78' ' ' THR . 4.4 m -120.11 157.91 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' OP1' ' C' ' 354' ' ' ' DG' . 0.5 OUTLIER -140.27 173.68 11.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.1 tt -116.4 121.66 33.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 18.5 Cg_endo -74.98 -159.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CG ' ' O2 ' ' C' ' 352' ' ' ' DT' . 0.1 OUTLIER -51.17 110.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' OE1' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.22 159.95 30.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.438 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.4 Cg_endo -74.91 74.97 3.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.44 44.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 1.6 m120 -119.42 78.5 19.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.03 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 104.98 -57.93 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 9.5 mttt -142.51 60.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -120.47 71.79 0.35 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.535 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.7 p-10 -135.36 175.42 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 0.812 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.692 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -151.25 154.15 36.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.599 ' CZ2' ' OP2' ' C' ' 354' ' ' ' DG' . 16.6 m0 -119.79 173.56 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HG23 ' A' ' 62' ' ' VAL . 43.2 m -142.5 138.67 31.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -116.71 167.43 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.8 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -103.65 159.05 30.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.0 92.06 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.6 mt-30 165.39 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -81.63 -55.19 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.68 -28.4 55.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.04 -45.23 82.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mtm -54.75 -37.14 65.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 13' ' ' THR . 4.4 m-85 -84.04 -52.28 6.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.89 -39.27 53.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -46.16 -55.18 7.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.11 -106.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.87 39.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.95 36.1 10.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.79 174.2 2.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 169.25 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.425 ' NH2' " H5'" ' C' ' 363' ' ' ' DA' . 6.9 ttt85 74.12 62.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.79 42.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.511 ' CZ ' " H5'" ' B' ' 255' ' ' ' DA' . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.577 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.622 15.982 3 C5'-C4'-O4' 84.217 -15.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.651 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.475 2.611 4 C5'-C4'-O4' 97.118 -7.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.651 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.599 13.942 3 C5'-C4'-O4' 154.262 28.039 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.515 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 139.983 19.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.503 5.142 4 C5'-C4'-O4' 151.787 26.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.527 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.074 -33.828 3 C5'-C4'-O4' 135.333 16.208 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.767 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.102 -31.261 3 C5'-C4'-O4' 139.598 18.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.313 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.635 17.141 3 C5'-C4'-O4' 155.95 29.094 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.552 ' H71' ' HE2' ' A' ' 8' ' ' TYR . . . . . . . . 0 O4'--C4' 1.418 -2.565 4 C5'-C4'-O4' 150.594 25.746 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.675 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.209 -21.502 3 C1'-O4'-C4' 119.949 7.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.604 " H4'" ' OP1' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.214 -21.094 2 C5'-C4'-O4' 85.209 -15.12 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 0.604 ' OP1' " H4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.656 3 C5'-C4'-O4' 154.654 28.284 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.568 11.072 3 C5'-C4'-O4' 143.001 21.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.571 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.891 4 C5'-C4'-O4' 152.817 27.136 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.571 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.56 10.407 3 C5'-C4'-O4' 149.424 25.015 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.428 4 C5'-C4'-O4' 131.946 14.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.438 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.537 8.312 4 C5'-C4'-O4' 144.597 21.998 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.454 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.395 -4.655 4 O4'-C4'-C3' 97.032 -8.568 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.454 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.592 13.252 3 O4'-C4'-C3' 94.026 -11.574 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.651 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.511 5.942 3 C5'-C4'-O4' 132.575 14.485 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.651 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.519 6.651 3 C5'-C4'-O4' 132.676 14.548 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.453 " C5'" ' HB3' ' A' ' 75' ' ' ASN . . . . . . . . 1 O4'--C4' 1.527 7.348 4 C5'-C4'-O4' 153.502 27.564 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.599 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.556 10.014 3 C5'-C4'-O4' 131.967 14.105 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.903 ' H72' ' NE ' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.562 10.569 3 C5'-C4'-O4' 133.834 15.271 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.504 ' H72' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.55 9.49 3 C5'-C4'-O4' 136.581 16.988 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.675 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.601 14.093 3 C5'-C4'-O4' 149.427 25.017 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.501 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.588 12.888 3 C5'-C4'-O4' 154.107 27.942 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.181 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.567 3 C5'-C4'-O4' 155.832 29.02 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.459 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.398 -4.349 4 C5'-C4'-O4' 90.267 -11.958 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.409 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.552 9.675 3 C5'-C4'-O4' 144.02 21.637 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 4 C5'-C4'-O4' 148.877 24.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.398 -4.373 2 C1'-O4'-C4' 115.891 4.422 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.322 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.657 19.177 3 O4'-C4'-C3' 91.89 -13.71 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.243 -18.409 3 C5'-C4'-O4' 95.376 -8.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.763 HG11 ' CD1' ' A' ' 39' ' ' TYR . 28.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -82.22 -64.36 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -74.99 141.09 26.25 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.02 20.98 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.632 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -89.59 155.01 19.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 9' ' ' ILE . 79.0 p -94.92 -163.14 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.704 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 9.6 t80 -83.77 -31.82 25.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.2 tp -40.69 -28.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 8' ' ' TYR . . . -73.17 -53.79 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.766 ' HB3' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -54.3 -41.81 69.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 55' ' ' LEU . 15.9 mm -67.91 -48.63 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 87' ' ' PHE . 1.9 m -41.13 -45.91 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 13.7 ttp -79.69 -33.31 41.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.639 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -58.85 -35.16 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 24' ' ' LEU . 8.5 mm -81.95 -50.02 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.32 -48.62 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.2 pp0? -43.65 -31.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.762 ' OG ' HD22 ' A' ' 24' ' ' LEU . 2.4 p -116.71 76.91 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 37.91 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -118.32 -11.03 10.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 64.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.79 111.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -155.99 168.79 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -120.38 131.37 54.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.2 tm? -52.54 -41.17 63.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -59.3 -57.62 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.2 -41.19 78.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.508 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -61.32 -56.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.461 ' N ' HG22 ' A' ' 29' ' ' ILE . 42.7 t -46.61 -38.4 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.316 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.81 -21.8 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 11' ' ' LEU . 29.7 mm -80.94 -54.74 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 19.8 m -55.88 -46.14 78.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.09 -40.32 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -76.63 -50.28 14.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE1' HD21 ' A' ' 11' ' ' LEU . 3.0 m-85 -122.1 107.73 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.763 ' CD1' HG11 ' A' ' 2' ' ' VAL . 2.9 t80 -45.72 -41.02 10.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.6 m-30 -68.13 -37.55 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.34 -17.89 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.7 mttm -70.9 -56.94 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 3.6 t80 27.86 62.19 0.65 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -21.24 16.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.783 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.797 ' HB1' HD22 ' A' ' 49' ' ' ASN . . . -179.51 54.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.704 ' CZ3' ' CD1' ' A' ' 8' ' ' TYR . 3.2 m95 -72.15 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' TRP . 1.4 tt0 -36.42 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.797 HD22 ' HB1' ' A' ' 46' ' ' ALA . 10.0 m-20 -78.68 -56.27 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.526 ' HA ' ' C7 ' ' B' ' 257' ' ' ' DT' . 1.1 t -65.07 -30.25 71.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 20.9 mt -68.21 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.494 ' CZ ' " C2'" ' C' ' 353' ' ' ' DT' . 6.3 mtt-85 -62.22 -16.13 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.634 ' CE1' ' N6 ' ' C' ' 357' ' ' ' DA' . 46.7 t60 -80.86 -54.48 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 50' ' ' SER . 30.6 m120 -70.61 -24.34 62.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -81.65 -61.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 3.9 p -70.87 -50.53 34.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -81.83 86.82 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.2 m120 154.28 -58.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.599 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 4.4 m-20 -68.26 -67.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.599 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 96.59 56.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 108.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.855 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -117.81 -167.09 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 m -119.43 140.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG3' ' OP1' ' C' ' 354' ' ' ' DG' . 0.0 OUTLIER -130.92 171.07 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 76' ' ' TYR . 6.9 tt -118.09 129.95 25.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.1 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.86 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -80.56 166.71 37.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.2 Cg_endo -75.04 55.22 3.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 71' ' ' PRO . . . 169.13 53.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' HB3' " H4'" ' C' ' 352' ' ' ' DT' . 0.5 OUTLIER -115.1 87.11 14.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.1 Cg_endo -75.04 52.46 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.753 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 101.94 -52.53 0.85 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -145.02 68.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -132.13 76.8 0.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 6.7 p30 -122.74 179.44 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.812 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -143.11 141.08 31.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.6 m0 -125.82 151.66 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 55.3 m -139.3 125.03 19.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.855 HD12 ' HD2' ' A' ' 61' ' ' PHE . 1.5 tt -114.85 153.56 30.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -73.01 149.85 89.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 74.18 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -177.64 35.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HB2' HD21 ' A' ' 79' ' ' LEU . 7.6 t -72.24 -54.47 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 -25.03 58.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -71.06 -49.36 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 87' ' ' PHE . 2.1 ptt? -72.78 -21.35 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' ' HE3' ' A' ' 86' ' ' MET . 0.3 OUTLIER -108.14 33.53 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 t0 179.64 56.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -79.88 -56.35 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.88 -77.54 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.44 -59.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -176.83 57.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.603 HD13 ' H ' ' A' ' 94' ' ' ARG . 0.1 OUTLIER -130.89 146.33 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.603 ' H ' HD13 ' A' ' 93' ' ' LEU . 62.6 ttp85 -136.8 57.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH1' ' NH2' ' A' ' 98' ' ' ARG . 1.1 ttt85 170.76 -70.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 179.17 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.73 69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.602 ' NH2' ' NH1' ' A' ' 95' ' ' ARG . 6.7 ttm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.591 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.159 -26.106 3 C5'-C4'-O4' 90.354 -11.904 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.591 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.468 2.0 4 O4'-C4'-C3' 96.057 -9.543 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.586 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.564 10.715 3 C5'-C4'-O4' 151.163 26.102 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.5 4.886 3 C5'-C4'-O4' 133.458 15.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.551 9.584 4 C5'-C4'-O4' 147.794 23.996 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.523 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.075 -33.682 3 C5'-C4'-O4' 136.175 16.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.674 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.117 -29.881 3 C5'-C4'-O4' 140.195 19.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.296 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.68 21.296 3 C5'-C4'-O4' 158.835 30.897 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.627 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.484 3.418 4 C5'-C4'-O4' 147.962 24.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.588 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.472 2.322 4 C5'-C4'-O4' 150.625 25.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.523 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.562 10.505 3 C5'-C4'-O4' 142.023 20.39 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.231 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.781 30.416 3 C5'-C4'-O4' 155.731 28.957 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.618 15.664 3 C5'-C4'-O4' 143.189 21.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.503 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.566 10.9 3 C5'-C4'-O4' 143.912 21.57 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.245 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.738 26.508 3 C5'-C4'-O4' 159.503 31.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.413 4 C5'-C4'-O4' 151.388 26.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.411 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 0 O4'--C4' 1.489 3.954 4 C5'-C4'-O4' 140.793 19.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.46 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.403 -3.883 4 O4'-C4'-C3' 96.452 -9.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.573 11.533 3 O4'-C4'-C3' 95.053 -10.547 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.459 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.402 3 C5'-C4'-O4' 126.778 10.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.502 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.524 7.08 3 C5'-C4'-O4' 136.938 17.211 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.502 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.51 5.823 4 C5'-C4'-O4' 153.063 27.289 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.441 H2'' ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.602 14.221 3 O4'-C4'-C3' 93.049 -12.551 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.65 ' C6 ' ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.912 3 C5'-C4'-O4' 141.342 19.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.65 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.493 4.254 4 C5'-C4'-O4' 144.486 21.929 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.634 ' N6 ' ' CE1' ' A' ' 53' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.385 4 C5'-C4'-O4' 148.851 24.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.662 " C4'" ' OP1' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.321 -11.353 2 O4'-C1'-N19 111.184 4.23 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.929 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 2.002 50.533 3 O4'-C4'-C3' 73.902 -31.698 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.534 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.373 -6.626 4 C5'-C4'-O4' 88.56 -13.025 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.498 4.72 4 C5'-C4'-O4' 146.759 23.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.315 -11.881 3 C5'-C4'-O4' 135.859 16.537 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.583 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.504 -1.381 2 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.583 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.181 3 O4'-C4'-C3' 93.792 -11.808 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.254 -17.467 3 C5'-C4'-O4' 95.423 -8.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 3' ' ' LYS . 15.9 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -125.93 74.0 70.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.02 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 6' ' ' TYR . 18.2 Cg_endo -75.04 -51.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -140.01 170.06 16.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.492 ' OG ' " C2'" ' B' ' 256' ' ' ' DA' . 3.8 t -74.32 -159.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.825 ' CE2' HD11 ' A' ' 12' ' ' ILE . 5.5 t80 -82.54 -21.63 35.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.953 ' O ' HG23 ' A' ' 13' ' ' THR . 8.1 tt -47.95 -47.53 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -64.56 -57.94 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 40' ' ' TYR . 13.1 mt -50.46 -31.53 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.825 HD11 ' CE2' ' A' ' 8' ' ' TYR . 8.8 mm -68.55 -55.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.953 HG23 ' O ' ' A' ' 9' ' ' ILE . 43.8 p -45.22 -40.65 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 2.2 ptt? -82.01 -22.38 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.63 -42.86 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 55' ' ' LEU . 1.8 mp -79.3 -39.98 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 13' ' ' THR . 1.7 mp -59.55 -40.58 87.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -63.32 -25.87 68.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 24' ' ' LEU . 65.4 p -122.02 70.06 29.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 -1.4 11.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -10.73 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mppt? 70.06 58.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 179.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -140.05 160.71 39.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' OD1' ' A' ' 75' ' ' ASN . 2.3 m -114.96 128.33 56.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 55' ' ' LEU . 3.2 tm? -53.81 -52.93 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.2 p -48.43 -51.37 27.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.532 ' H ' HG22 ' A' ' 25' ' ' THR . . . -61.08 -38.66 95.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -62.67 -45.23 99.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.0 t -55.5 -48.42 74.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.44 -26.92 68.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.6 -24.25 49.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 8' ' ' TYR . 33.8 mm -80.89 -53.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' PHE . 59.3 p -60.62 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.24 -35.03 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 3.8 mmt-85 -72.41 -41.32 66.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 36' ' ' ARG . 30.2 m-85 -132.49 125.11 19.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.8 10.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.685 ' CE2' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -56.15 -43.48 78.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE1' ' CE2' ' A' ' 39' ' ' TYR . 11.5 m-85 -65.0 -41.58 95.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -56.46 -42.11 77.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.68 -15.49 51.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.742 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -120.07 56.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 47' ' ' TRP . 4.0 t80 -113.52 61.75 0.89 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.97 -18.88 18.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB1' ' ND2' ' A' ' 49' ' ' ASN . . . -179.58 52.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.95 ' O ' HG23 ' A' ' 51' ' ' ILE . 3.2 m95 -71.86 -46.71 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -44.96 -33.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.529 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 28.0 m-20 -82.56 -48.61 10.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.647 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 26.8 t -63.03 -32.69 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 47' ' ' TRP . 7.1 pt -73.75 -56.6 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.6 mpp_? -61.76 -18.45 59.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.777 ' ND1' ' H73' ' B' ' 257' ' ' ' DT' . 50.7 t-80 -82.11 -56.6 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' SER . 34.1 m120 -71.9 -19.18 61.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.952 HD23 HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.93 -56.01 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.583 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 51.1 p -76.98 -51.7 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -79.82 77.43 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 166.4 -59.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.9 m-20 -66.9 -57.39 7.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.19 55.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.763 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -122.61 -163.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.43 151.11 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -129.56 173.41 10.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.787 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 tp -116.96 119.54 35.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tpt85 -35.46 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' PRO . 3.0 tp10 -105.89 133.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' CG ' H5'' ' B' ' 265' ' ' ' DC' . 18.2 Cg_endo -75.03 80.28 2.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.566 1.824 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.14 -53.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.65 114.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 154.07 -97.4 0.17 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -142.73 56.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.57 93.82 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.674 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 17.8 p-10 -122.47 -158.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.787 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -158.92 140.08 13.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CD1' ' ND2' ' A' ' 75' ' ' ASN . 10.7 m0 -125.65 136.83 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 94.1 m -121.19 132.1 54.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' A' ' 61' ' ' PHE . 2.1 tt -116.61 151.47 36.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.69 ' O ' HD23 ' A' ' 79' ' ' LEU . 8.3 t70 -68.65 146.31 97.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 18.2 Cg_endo -75.06 86.92 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 163.71 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.563 ' HB3' HD21 ' A' ' 79' ' ' LEU . 3.4 p -78.97 -35.75 42.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.47 -36.26 68.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' ASN . 5.2 t0 -66.48 -56.53 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 83' ' ' SER . 25.8 ptt? -57.61 -33.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 -68.5 -45.83 71.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.29 30.19 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.1 m-20 -79.88 -59.09 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.36 -63.1 2.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.16 -60.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -153.54 -51.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp 72.9 54.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.629 ' CZ ' HG21 ' A' ' 9' ' ' ILE . 1.7 tpm_? 177.94 125.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.428 HH12 ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -59.01 -48.84 80.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER 75.39 136.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 80.24 -63.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.45 ' NH2' " O3'" ' B' ' 255' ' ' ' DA' . 6.6 ttt85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.568 11.126 3 O4'-C4'-C3' 89.851 -15.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.844 " H2'" ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.072 -33.985 3 C1'-O4'-C4' 123.469 9.835 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.844 ' H72' " H2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.387 -5.337 4 C5'-C4'-O4' 151.598 26.373 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.545 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.386 -5.417 4 C5'-C4'-O4' 123.337 8.711 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.543 8.839 4 C5'-C4'-O4' 151.07 26.044 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.569 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.069 -34.282 3 C5'-C4'-O4' 133.93 15.331 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.272 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.691 22.292 3 O4'-C4'-C3' 82.484 -23.116 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.149 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.81 33.091 3 C5'-C4'-O4' 148.023 24.139 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 1.327 " C4'" " O4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.652 18.689 3 C5'-C4'-O4' 156.059 29.162 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.476 2.711 4 C5'-C4'-O4' 151.205 26.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.529 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.62 15.827 3 C5'-C4'-O4' 136.892 17.183 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.247 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.745 27.22 3 C5'-C4'-O4' 160.431 31.894 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.603 14.24 3 C5'-C4'-O4' 144.017 21.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.447 " C2'" ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.554 9.814 4 C5'-C4'-O4' 148.528 24.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.144 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.805 32.662 3 C5'-C4'-O4' 151.152 26.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.439 4 C5'-C4'-O4' 148.017 24.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.413 H5'' ' CG ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.542 8.708 4 C5'-C4'-O4' 142.289 20.556 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.464 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.387 -5.385 4 O4'-C4'-C3' 97.547 -8.053 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.464 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.572 11.492 3 O4'-C4'-C3' 94.745 -10.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.527 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.508 5.642 3 C5'-C4'-O4' 126.941 10.963 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.527 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.471 2.232 3 O4'-C4'-C3' 99.953 -5.647 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.522 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.924 4 C5'-C4'-O4' 147.972 24.107 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.566 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.556 10.009 4 C5'-C4'-O4' 147.002 23.502 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.566 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.546 9.101 4 C5'-C4'-O4' 152.801 27.126 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.552 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.499 4.788 4 C5'-C4'-O4' 141.997 20.373 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.682 " H2'" ' H72' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.098 -31.598 3 C5'-C4'-O4' 132.22 14.263 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.711 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.288 -14.361 4 C5'-C4'-O4' 147.26 23.662 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.711 ' H72' " H2'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.233 -19.37 2 C1'-O4'-C4' 118.67 6.407 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.698 ' OP1' " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.352 -8.529 4 C5'-C4'-O4' 84.775 -15.39 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.467 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.87 4 C5'-C4'-O4' 151.137 26.085 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.187 4 C5'-C4'-O4' 149.43 25.019 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " C1'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.142 -27.645 2 C1'-O4'-C4' 121.837 8.669 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.321 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.68 21.286 3 O4'-C4'-C3' 84.353 -21.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.16 -25.984 3 C1'-O4'-C4' 121.596 8.497 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 1.4 tptt -171.32 58.25 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.01 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD2' ' OH ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.06 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -137.89 -175.32 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.512 ' OG ' ' NH1' ' A' ' 98' ' ' ARG . 6.1 p -75.04 -173.97 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 50' ' ' SER . 64.5 m-85 -81.09 -47.5 13.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -39.45 -33.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -54.22 37.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' ILE . 2.9 mm? -59.39 -29.84 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 55' ' ' LEU . 10.4 mm -66.55 -51.9 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.709 ' O ' HD23 ' A' ' 17' ' ' LEU . 48.2 m -52.4 -39.84 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 10.0 ttp -79.76 -22.11 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -74.49 -36.9 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.755 HD12 HD13 ' A' ' 79' ' ' LEU . 27.5 mm -81.61 -37.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -68.93 -52.4 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' MET . 1.1 pp0? -51.02 -24.79 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.4 p -119.48 74.26 16.44 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.01 40.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.8 OUTLIER -119.87 -13.93 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.91 61.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.88 105.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -148.58 165.81 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 76' ' ' TYR . 80.4 p -114.9 132.6 56.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -52.97 -45.19 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.507 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 23.0 t -59.25 -55.34 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -33.65 61.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.565 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -67.41 -52.35 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 39.0 t -54.08 -33.33 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.01 -33.71 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -70.38 -33.44 71.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.776 HG21 ' HZ3' ' A' ' 47' ' ' TRP . 5.9 mt -75.63 -58.48 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -46.2 -32.22 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.26 -37.57 72.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -76.39 -37.68 56.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.651 ' CE1' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -125.71 108.49 25.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.38 14.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -71.22 -38.49 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.816 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -58.81 -45.14 90.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -70.56 -9.14 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -81.71 -51.37 8.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.0 tptt -78.47 -53.92 6.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 0.5 OUTLIER 26.25 65.34 0.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 50' ' ' SER . . . -178.78 47.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.816 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 5.1 m95 -70.87 -5.08 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -69.32 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.459 ' OD1' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -76.46 -31.14 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . 1.7 p -48.89 -54.28 16.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 55' ' ' LEU . 6.4 pt -77.26 -50.4 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' NE2' HD22 ' A' ' 57' ' ' LEU . 53.8 t-80 -80.3 -58.73 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.521 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 27.7 m120 -65.61 -11.51 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.621 ' HG ' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -86.07 -59.62 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.28 -47.69 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.599 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.12 87.69 5.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.1 m120 155.38 -49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.4 m-20 -80.71 -61.31 2.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.6 t 95.43 61.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.759 ' CD2' HD12 ' A' ' 79' ' ' LEU . 1.8 p90 -126.23 -160.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.34 165.77 17.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -174.59 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 13.4 mm -122.49 109.29 32.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.06 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CG ' ' O2 ' ' C' ' 352' ' ' ' DT' . 5.7 mtm-85 -33.45 103.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -127.9 176.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 63.85 6.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 175.05 49.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' ND2' " H5'" ' C' ' 353' ' ' ' DT' . 7.0 m-20 -132.58 64.19 70.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.3 Cg_endo -74.98 70.83 5.18 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 101.45 -65.9 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 13.0 mtmm -142.64 58.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -117.74 126.45 6.91 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 4.9 p-10 -162.57 -178.36 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 12.9 m-85 -150.51 138.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.621 ' CZ3' ' HG ' ' A' ' 55' ' ' LEU . 11.1 m0 -124.23 136.93 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.3 m -118.15 135.44 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.6 tt -119.14 157.21 28.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.816 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -90.19 155.5 46.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -75.05 90.46 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.9 mt-30 165.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 60.6 p -81.07 -41.86 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.7 -57.04 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 59' ' ' ASP . 22.8 ttp -71.42 -36.59 71.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CD2' ' O ' ' A' ' 83' ' ' SER . 11.2 m-85 -79.59 4.96 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.47 44.52 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -71.28 -177.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.58 -66.7 2.57 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t 179.65 73.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.84 29.94 6.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HA ' ' OP1' ' B' ' 255' ' ' ' DA' . 4.9 mp -135.67 170.88 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -123.78 60.42 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 161.07 82.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -52.34 43.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.55 82.97 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NH1' ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 1.056 " O4'" " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.899 41.194 3 O4'-C4'-C3' 79.258 -26.342 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.766 " H2'" ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.07 -34.163 3 C5'-C4'-O4' 93.107 -10.183 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.766 ' H72' " H2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.387 -5.405 4 C5'-C4'-O4' 151.37 26.231 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.443 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.471 2.273 4 C5'-C4'-O4' 125.004 9.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . 0.405 H2'' ' OP2' ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.594 13.438 3 C5'-C4'-O4' 151.951 26.594 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.49 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.099 -31.573 3 C1'-O4'-C4' 121.194 8.21 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.49 " H4'" " H1'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.205 -21.939 4 C5'-C4'-O4' 141.858 20.286 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.682 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.301 3 C5'-C4'-O4' 140.115 19.197 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.682 " H4'" " H1'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.522 6.91 3 C5'-C4'-O4' 147.37 23.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.702 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.433 4 C5'-C4'-O4' 125.999 10.374 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.407 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.529 7.543 3 C5'-C4'-O4' 138.776 18.36 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.185 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.788 31.065 3 C5'-C4'-O4' 156.286 29.304 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.503 5.166 4 C5'-C4'-O4' 152.844 27.153 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.462 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.544 8.92 4 C5'-C4'-O4' 137.184 17.365 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.173 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.753 27.88 3 C5'-C4'-O4' 159.729 31.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.054 4 C5'-C4'-O4' 150.794 25.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.513 6.085 4 C5'-C4'-O4' 142.187 20.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.459 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.383 -5.729 4 C5'-C4'-O4' 124.016 9.135 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.459 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.58 12.187 3 O4'-C4'-C3' 94.286 -11.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.47 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.441 4 C5'-C4'-O4' 129.595 12.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.675 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.483 3.407 4 C5'-C4'-O4' 137.884 17.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.675 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.568 11.069 3 C5'-C4'-O4' 154.886 28.429 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.497 H2'' ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.577 11.916 3 O4'-C4'-C3' 94.196 -11.404 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.701 ' C6 ' ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.53 7.63 3 C5'-C4'-O4' 139.03 18.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.701 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.408 -3.469 4 C5'-C4'-O4' 139.8 19.0 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.702 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.299 3 C5'-C4'-O4' 138.33 18.081 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.42 ' H71' H2'' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.627 16.439 3 C5'-C4'-O4' 155.441 28.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.733 " H2'" ' H72' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.143 -27.534 3 C5'-C4'-O4' 138.716 18.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.733 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.548 9.284 3 O4'-C4'-C3' 90.432 -15.168 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.416 4 C5'-C4'-O4' 130.593 13.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 146.789 23.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.59 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -1.988 1 O4'-C1'-N19 111.203 4.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.341 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.642 17.773 3 O4'-C4'-C3' 92.707 -12.893 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.257 -17.197 3 C5'-C4'-O4' 95.346 -8.784 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.735 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 33.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 6.9 mttt 113.76 -55.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.75 ' HD3' ' HB2' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -74.97 125.66 9.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.543 ' CB ' ' OH ' ' A' ' 40' ' ' TYR . 18.1 Cg_endo -75.01 167.93 25.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.495 1.787 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -107.15 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.585 ' CB ' ' OP2' ' B' ' 256' ' ' ' DA' . 67.7 p -66.19 96.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.558 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 43.9 m-85 -51.21 -27.65 9.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 10' ' ' ALA . 8.0 pt -61.2 -36.49 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -70.25 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD13 HD13 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -47.97 -34.33 9.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 51' ' ' ILE . 4.9 mm -69.94 -53.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 m -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 6.4 tmm? -80.43 -36.17 34.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -60.94 -28.57 69.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 HG23 ' A' ' 12' ' ' ILE . 1.6 mp -85.31 -49.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.0 -39.65 82.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.38 -26.04 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.561 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.6 p -120.8 73.37 23.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 -4.81 15.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.05 -8.68 47.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 70.48 57.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.66 112.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -149.63 160.14 43.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.515 ' O ' HD13 ' A' ' 29' ' ' ILE . 78.2 p -118.24 127.01 53.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 55' ' ' LEU . 1.9 tm? -50.74 -53.28 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 t -50.38 -52.21 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.07 -31.66 81.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.563 HG13 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -65.71 -45.53 91.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.7 t -61.12 -38.62 86.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -64.51 -39.49 93.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -71.34 -32.48 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.657 HD13 HD13 ' A' ' 11' ' ' LEU . 2.5 mt -75.95 -26.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' PHE . 54.6 p -71.59 -43.87 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.36 -44.71 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 3.7 mmt180 -67.84 -32.45 72.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -130.14 105.13 16.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 8.0 p90 -57.5 -30.53 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' OH ' ' CB ' ' A' ' 5' ' ' PRO . 3.1 t80 -61.89 -49.97 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -75.93 -6.82 52.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 1.8 mt-10 -81.54 -46.97 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' PHE . 4.5 tptp -80.2 -48.07 13.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.7 t80 35.85 72.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.0 31.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 75.22 57.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 8.7 p-90 -94.07 26.48 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.443 ' HG3' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.17 -66.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HB2' ' N6 ' ' B' ' 259' ' ' ' DA' . 21.2 p30 -73.07 -18.87 61.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.3 m -64.53 -56.48 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -68.32 -37.11 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' NH2' ' HG3' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.637 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 1.7 t-80 -71.21 -59.2 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TYR . 2.8 m-20 -65.78 -14.82 62.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 26' ' ' LEU . 3.0 tp -81.98 -54.32 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 84.1 p -71.56 -53.29 14.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 87.27 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.57 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 2.8 m-20 -78.77 -48.36 14.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER 89.9 75.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 56' ' ' SER . 8.8 p90 -136.35 -163.95 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 78' ' ' THR . 32.2 m -123.44 163.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -143.25 -177.7 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 9.6 mm -117.5 123.65 29.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -74.99 -160.58 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' " H5'" ' B' ' 265' ' ' ' DC' . 0.0 OUTLIER -65.43 58.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.767 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 1.5 tt0 -141.22 43.15 0.51 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HD3' ' N ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.02 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.76 5.08 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 68' ' ' PRO . 5.7 p30 -135.31 137.92 27.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.48 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 160.2 -164.89 34.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HA ' " O3'" ' C' ' 352' ' ' ' DT' . 0.1 OUTLIER -96.67 40.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.52 127.07 8.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.637 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 30.9 p30 -141.94 -164.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 13.8 m-85 -147.7 143.1 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.588 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 11.1 m0 -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' VAL . 72.8 m -116.99 142.77 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -120.54 162.51 19.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.595 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.7 t70 -81.67 144.76 53.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -75.02 81.52 2.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.1 mt-30 163.66 43.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 90.3 p -72.94 -53.36 11.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.55 -53.52 56.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.13 -41.51 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 82' ' ' GLN . 33.2 ttp -62.42 -54.19 43.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' ' 93' ' ' LEU . 1.1 m-85 -54.9 -42.15 71.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -68.99 -53.05 22.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -39.5 -56.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.24 -55.84 25.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.86 38.58 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -152.11 53.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -119.2 145.79 45.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.507 ' NH1' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 65.0 125.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.519 ' CD ' " H4'" ' C' ' 363' ' ' ' DA' . 16.0 mtt85 -52.22 -52.82 50.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 95' ' ' ARG . 0.9 OUTLIER 177.1 -61.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 89.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.507 ' NH1' ' NH1' ' A' ' 94' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.476 3 O4'-C4'-C3' 96.427 -9.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.565 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.468 1.997 4 C5'-C4'-O4' 95.204 -8.872 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.565 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.61 14.954 3 C5'-C4'-O4' 151.513 26.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.546 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.814 4 C5'-C4'-O4' 133.049 14.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.562 10.565 3 C5'-C4'-O4' 150.777 25.861 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.684 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.071 -34.058 3 C5'-C4'-O4' 134.491 15.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.301 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.688 21.973 3 C5'-C4'-O4' 148.112 24.195 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.586 ' C4 ' ' C2 ' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.62 15.845 3 C5'-C4'-O4' 141.066 19.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 1.28 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.68 21.233 3 C5'-C4'-O4' 156.118 29.199 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.781 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.599 13.878 3 C5'-C4'-O4' 139.38 18.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.42 ' N6 ' ' HB2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.616 15.458 3 C5'-C4'-O4' 148.178 24.236 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.239 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.708 23.83 3 C5'-C4'-O4' 159.583 31.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.362 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.645 18.11 3 C5'-C4'-O4' 149.041 24.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.563 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.547 9.179 4 C5'-C4'-O4' 149.606 25.129 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.563 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.596 13.607 3 C5'-C4'-O4' 149.969 25.356 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.571 11.346 3 O4'-C4'-C3' 95.427 -10.173 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 1.293 " O4'" " C4'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.636 17.227 3 C5'-C4'-O4' 145.165 22.353 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.461 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.381 -5.952 4 O4'-C4'-C3' 98.058 -7.542 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.461 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.587 12.815 3 O4'-C4'-C3' 93.893 -11.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.581 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.475 2.646 4 C5'-C4'-O4' 138.931 18.457 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.71 " H2'" ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.168 -25.246 2 C1'-O4'-C4' 116.43 4.807 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.71 ' H72' " H2'" ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.379 -6.095 4 C5'-C4'-O4' 149.963 25.352 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.577 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.458 4 C5'-C4'-O4' 133.073 14.795 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.693 " H2'" ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.108 -30.724 3 C5'-C4'-O4' 128.761 12.101 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.693 ' H72' " H2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.31 -12.342 4 C5'-C4'-O4' 147.998 24.124 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.334 4 C5'-C4'-O4' 121.586 7.616 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.457 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.226 3 C5'-C4'-O4' 155.762 28.976 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.156 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.55 3 O4'-C4'-C3' 80.852 -24.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.53 " C2'" ' H71' ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.327 -10.844 3 C5'-C4'-O4' 90.237 -11.977 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.53 ' H71' " C2'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.509 5.76 4 C5'-C4'-O4' 147.019 23.512 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.419 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.413 4 C5'-C4'-O4' 149.616 25.135 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.592 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.404 -3.854 3 C1'-O4'-C4' 115.912 4.437 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.592 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.598 13.816 2 O4'-C4'-C3' 93.454 -12.146 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.192 -23.116 3 C5'-C4'-O4' 96.353 -8.155 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' O ' ' HD2' ' A' ' 3' ' ' LYS . 11.9 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HG3' ' HD2' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 170.58 143.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.539 ' HD2' ' HG3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 94' ' ' ARG . 18.1 Cg_endo -75.09 90.27 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.93 113.34 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.476 ' OG ' ' OP2' ' B' ' 256' ' ' ' DA' . 2.5 p -72.17 176.08 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HB3' HD12 ' A' ' 51' ' ' ILE . 23.4 m-85 -82.12 -20.17 38.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -48.07 -43.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' OG1' ' A' ' 13' ' ' THR . . . -65.05 -52.01 58.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 37' ' ' PHE . 45.3 mt -54.31 -37.82 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 51' ' ' ILE . 1.1 mp -68.6 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.672 HG21 ' CE1' ' A' ' 87' ' ' PHE . 1.6 p -41.6 -33.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 11.6 ttp -79.9 -40.71 27.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -59.71 -26.66 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 79' ' ' LEU . 31.0 mm -84.08 -56.47 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 13' ' ' THR . 0.8 OUTLIER -55.03 -45.62 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -47.5 -40.27 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 31.0 p -68.35 108.59 2.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.97 -4.18 15.02 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.1 33.72 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 29.66 64.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' SER . 13.5 ttmt -174.65 142.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 29' ' ' ILE . 2.1 pt? -157.98 167.5 29.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.9 m -121.74 143.07 49.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.639 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.9 tm? -59.12 -56.38 22.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.6 p -47.68 -55.83 8.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.94 -34.97 81.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 25' ' ' THR . 1.1 mp -63.68 -53.32 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 t -48.96 -42.93 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.75 -36.23 81.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -73.12 -22.35 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 29' ' ' ILE . 37.8 mm -80.44 -43.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 43.5 p -69.16 -57.64 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.2 -46.81 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 10.0 mmm180 -64.03 -54.28 36.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 39.5 m-85 -118.0 119.84 33.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.528 ' CD2' ' HD3' ' A' ' 3' ' ' LYS . 19.4 m-85 -54.4 -38.95 66.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.79 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.5 m-30 -64.99 -36.82 85.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 4.2 ttt180 -79.97 -22.33 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.82 -58.91 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' PHE . 5.6 mtmt -71.61 -53.72 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 3.6 t80 23.37 62.1 0.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -25.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 176.26 59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CH2' ' CG ' ' A' ' 40' ' ' TYR . 18.6 m95 -80.44 -11.88 59.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.002 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.8 tt0 -62.8 -55.43 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -80.48 -36.25 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -58.38 -52.39 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.671 HD12 ' HB3' ' A' ' 8' ' ' TYR . 1.2 tp -69.81 -52.07 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.4 mtt180 -56.9 -28.18 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.619 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 76.0 t60 -74.88 -58.09 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -66.86 -14.77 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 61' ' ' PHE . 10.3 tp -84.13 -55.16 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.02 -51.64 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.964 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 mm? -80.55 91.37 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 151.17 -53.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 6.9 m-20 -81.19 -41.63 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 47.3 m 67.52 74.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -128.96 -145.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 33.3 m -134.86 156.25 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -136.98 177.27 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' OE1' ' A' ' 67' ' ' GLU . 9.1 mm -119.09 113.56 35.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.1 Cg_endo -75.04 178.58 7.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' CD ' " O4'" ' C' ' 352' ' ' ' DT' . 11.1 tpt180 -37.55 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' OE1' HD12 ' A' ' 64' ' ' ILE . 2.2 mt-10 -128.54 164.47 37.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.96 -76.68 1.05 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -138.81 129.02 14.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.79 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.41 -88.26 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.0 OUTLIER -144.85 61.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.775 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.5 114.26 2.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -141.16 -173.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -147.8 129.12 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 12.0 m0 -121.7 140.25 52.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 108.035 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 52.6 m -130.72 139.69 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 HG21 ' A' ' 16' ' ' ILE . 8.3 tt -115.79 156.49 25.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.721 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.2 m-20 -68.67 157.41 88.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -165.15 37.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' HA ' ' SD ' ' A' ' 86' ' ' MET . 2.1 t -79.48 -31.47 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -33.7 28.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -55.02 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 83' ' ' SER . 3.3 ptm -62.32 -11.56 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.65 30.97 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.69 -43.54 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -43.89 -53.4 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.24 -174.59 8.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' PHE . 31.9 t -132.33 49.35 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 91' ' ' SER . 58.1 t80 58.72 46.37 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.96 169.2 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 5' ' ' PRO . 2.6 mmm180 -52.61 175.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.464 ' NE ' ' OP1' ' B' ' 256' ' ' ' DA' . 0.0 OUTLIER -55.48 -51.6 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.98 64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.31 133.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' NH1' " H5'" ' B' ' 255' ' ' ' DA' . 2.8 tpp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.516 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.587 12.821 3 C5'-C4'-O4' 85.326 -15.047 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.561 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.204 -22.033 3 C1'-O4'-C4' 120.85 7.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.561 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.516 6.397 4 C5'-C4'-O4' 131.841 14.026 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.09 4 C5'-C4'-O4' 130.894 13.434 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.396 4 C5'-C4'-O4' 148.167 24.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.481 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.1 -31.422 3 C5'-C4'-O4' 138.552 18.22 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.696 ' C2 ' ' C4 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.168 -25.287 3 C5'-C4'-O4' 141.313 19.946 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.291 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.69 22.204 3 C5'-C4'-O4' 159.543 31.339 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.751 ' H72' ' C8 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.524 7.132 4 C5'-C4'-O4' 153.974 27.859 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.604 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.429 -1.507 4 C5'-C4'-O4' 149.402 25.002 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.431 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.562 10.569 3 C5'-C4'-O4' 136.194 16.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.168 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.85 36.708 3 C5'-C4'-O4' 155.799 29.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.305 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.639 17.578 3 C5'-C4'-O4' 149.049 24.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.518 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.624 16.201 3 C5'-C4'-O4' 154.226 28.016 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.518 ' H71' H2'' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.57 11.303 3 C5'-C4'-O4' 149.702 25.189 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.515 6.286 4 O4'-C4'-C3' 94.805 -10.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.583 12.478 3 C5'-C4'-O4' 146.036 22.897 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.582 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.471 2.243 4 C5'-C4'-O4' 129.899 12.812 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.582 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.589 13.004 3 O4'-C4'-C3' 93.674 -11.926 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.547 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.507 5.523 3 C5'-C4'-O4' 130.352 13.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.547 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.534 8.031 3 C5'-C4'-O4' 126.576 10.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.482 ' OP2' H2'' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.611 14.979 3 C5'-C4'-O4' 150.608 25.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.55 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.616 15.449 3 C5'-C4'-O4' 156.926 29.704 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.55 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.535 8.067 3 C5'-C4'-O4' 139.159 18.599 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.537 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.474 2.567 4 C5'-C4'-O4' 141.978 20.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.604 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.591 13.185 3 C5'-C4'-O4' 143.214 21.133 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.545 ' H72' ' C8 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.579 12.133 3 C5'-C4'-O4' 154.522 28.201 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.158 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.809 32.99 3 C5'-C4'-O4' 154.693 28.308 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.546 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.508 4 O4'-C4'-C3' 97.444 -8.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 1.379 " O4'" " C4'" ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.631 16.776 3 C5'-C4'-O4' 154.03 27.894 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.297 4 C5'-C4'-O4' 149.058 24.786 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 1.04 " O4'" " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.893 40.607 3 C5'-C4'-O4' 166.774 35.859 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.285 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.738 26.559 3 O4'-C4'-C3' 82.462 -23.138 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . 0.418 " C5'" " H1'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.177 -24.431 3 C5'-C4'-O4' 93.946 -9.659 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 39' ' ' TYR . 2.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.73 169.68 1.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.604 ' O ' ' CE1' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -74.95 160.43 40.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.05 174.23 13.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 2.1 m-85 -140.22 179.74 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.454 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 79.8 p -69.34 109.47 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.545 ' HD2' HD12 ' A' ' 51' ' ' ILE . 4.1 m-85 -58.21 -25.03 61.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -50.57 -40.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -66.04 -55.72 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -49.73 -35.96 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 55' ' ' LEU . 1.1 mp -73.08 -41.07 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 17' ' ' LEU . 18.4 m -51.43 -48.69 62.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 18.2 ptm -74.08 -30.32 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -65.14 -31.69 73.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 24' ' ' LEU . 32.6 mm -79.84 -49.66 18.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 13' ' ' THR . 4.4 mm? -58.26 -27.75 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -56.91 -28.09 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.869 ' OG ' HD23 ' A' ' 24' ' ' LEU . 18.6 p -111.37 95.08 24.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.95 14.96 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -114.5 13.19 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER 40.14 59.02 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 112.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.869 HD23 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -144.6 173.71 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 75' ' ' ASN . 30.5 p -111.96 123.82 51.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -48.08 33.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.6 m -60.42 -51.17 70.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.1 -45.08 83.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -63.84 -44.23 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -35.22 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.34 -39.78 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.3 -30.56 71.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.3 mt -79.2 -57.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -33.81 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 5.6 mmm180 -63.71 -31.02 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -137.76 88.47 16.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -31.38 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CD1' HG21 ' A' ' 2' ' ' VAL . 9.8 p90 -73.88 -28.07 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -63.86 -50.15 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -63.56 -20.1 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.29 -40.48 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.97 10.38 41.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CZ ' " H3'" ' B' ' 257' ' ' ' DT' . 1.0 OUTLIER -148.53 71.14 10.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.76 3.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB3' ' OP2' ' B' ' 258' ' ' ' DA' . . . -172.26 63.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.825 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 4.2 m95 -107.33 12.87 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 1.1 tm0? -78.48 -71.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' OD1' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -75.84 -29.85 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 15.2 t -53.9 -56.14 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.825 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 3.8 tp -70.67 -47.82 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CD ' ' H72' ' C' ' 355' ' ' ' DT' . 0.0 OUTLIER -52.49 -37.19 56.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CE1' HD22 ' A' ' 57' ' ' LEU . 37.2 t-80 -66.91 -58.3 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 8' ' ' TYR . 34.2 m120 -67.1 -12.03 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 20.9 tp -85.02 -57.86 2.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.562 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -78.02 -50.58 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.2 tt -76.56 77.9 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.93 -51.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 21.6 m-20 -80.15 -45.44 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m 68.88 65.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -118.78 -160.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.415 ' H ' ' HB2' ' A' ' 61' ' ' PHE . 92.9 t -119.65 147.96 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 164.33 30.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.4 pp -118.16 129.03 25.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.511 ' HB3' " C5'" ' C' ' 354' ' ' ' DG' . 18.2 Cg_endo -75.0 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -48.02 92.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.5 mt-10 -87.74 165.03 32.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 58.26 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 36.95 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -125.38 79.31 66.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' " H3'" ' C' ' 352' ' ' ' DT' . . . 94.29 -76.31 1.0 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 54.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . -106.28 69.81 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 34.7 p-10 -109.68 166.07 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 64' ' ' ILE . 8.7 m-85 -133.91 140.33 46.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.54 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 9.5 m0 -125.59 138.49 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 20.1 m -120.26 152.02 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -117.0 152.05 35.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -85.65 165.94 32.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.83 4.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 86' ' ' MET . 23.0 tt0 -175.09 36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.696 ' HB2' HD22 ' A' ' 79' ' ' LEU . 41.5 t -78.66 -52.18 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.89 50.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -41.86 71.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 49.1 ttp -65.66 -56.71 10.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 5.0 m-85 -60.99 -32.2 71.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -55.91 29.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -81.92 49.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.43 -104.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -178.24 63.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.985 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER 51.18 39.37 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 92' ' ' PHE . 1.7 tp 84.99 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 7' ' ' SER . 0.2 OUTLIER -68.33 -167.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.591 ' CZ ' ' NH2' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -65.41 -44.23 88.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 36.33 47.52 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -159.15 -67.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 51.9 ttp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 4 O4'-C4'-C3' 98.343 -7.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.451 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.334 -10.18 4 C1'-O4'-C4' 118.699 6.428 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 1.279 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.737 26.416 3 C5'-C4'-O4' 156.993 29.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.327 -10.817 4 C5'-C4'-O4' 147.48 23.8 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . 0.568 H2'' ' OP2' ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.175 -24.614 3 C5'-C4'-O4' 89.541 -12.412 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.568 ' OP2' H2'' ' B' ' 253' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.07 -34.19 3 C1'-O4'-C4' 123.497 9.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.559 " H4'" " H1'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.17 -25.087 3 C5'-C4'-O4' 141.917 20.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.738 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.117 -29.867 3 C5'-C4'-O4' 140.313 19.321 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.738 " H4'" " H1'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.563 10.651 3 C5'-C4'-O4' 147.889 24.056 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.617 ' C8 ' ' C2 ' ' B' ' 257' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.462 1.449 3 C5'-C4'-O4' 121.669 7.668 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.479 ' N6 ' ' O4 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.573 11.507 3 C5'-C4'-O4' 145.977 22.861 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.178 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.825 34.48 3 C5'-C4'-O4' 154.952 28.47 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 0.597 ' C2 ' ' C2 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.566 10.873 3 C5'-C4'-O4' 142.244 20.528 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.466 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.48 4 C5'-C4'-O4' 145.495 22.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.466 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.4 4 C5'-C4'-O4' 147.082 23.551 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.497 " C2'" " O5'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.119 -29.735 3 C5'-C4'-O4' 94.638 -9.226 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.497 " O5'" " C2'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.25 -17.855 4 C5'-C4'-O4' 146.179 22.987 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.448 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.391 -5.04 4 C5'-C4'-O4' 127.67 11.419 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.448 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.566 10.924 3 O4'-C4'-C3' 94.944 -10.656 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.481 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.422 4 C5'-C4'-O4' 128.521 11.951 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.481 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.452 3 C5'-C4'-O4' 124.447 9.405 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.506 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.58 12.207 3 C5'-C4'-O4' 149.922 25.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.597 ' C2 ' ' C2 ' ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.505 5.393 4 C5'-C4'-O4' 136.177 16.735 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.737 " H2'" ' H72' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.094 -31.987 3 C5'-C4'-O4' 129.003 12.252 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.737 ' H72' " H2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.294 -13.789 4 C5'-C4'-O4' 147.527 23.83 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.613 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.468 4 C5'-C4'-O4' 126.946 10.967 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.479 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.671 4 C5'-C4'-O4' 154.038 27.899 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.257 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.745 27.197 3 C5'-C4'-O4' 160.362 31.851 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.602 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.509 4 C5'-C4'-O4' 94.623 -9.236 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.602 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.527 7.384 3 C5'-C4'-O4' 140.056 19.16 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.381 -5.915 4 C5'-C4'-O4' 146.698 23.311 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.623 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.509 5.742 2 O4'-C4'-C3' 99.054 -6.546 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.347 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.635 17.207 3 O4'-C4'-C3' 93.05 -12.55 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.197 -22.631 3 C1'-O4'-C4' 120.795 7.925 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 43' ' ' LYS . 71.7 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 76.61 2.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.6 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.97 113.85 3.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 6' ' ' TYR . 18.3 Cg_endo -75.01 -49.77 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' A' ' 5' ' ' PRO . 2.3 m-85 -105.02 150.59 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.588 ' O ' HD23 ' A' ' 11' ' ' LEU . 51.1 m -77.89 -167.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.531 ' O ' HG12 ' A' ' 12' ' ' ILE . 56.5 m-85 -63.4 -50.67 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -38.91 -47.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.637 ' HB2' ' HD2' ' A' ' 94' ' ' ARG . . . -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 37' ' ' PHE . 4.5 mm? -58.61 -33.9 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.589 HD13 ' N ' ' A' ' 12' ' ' ILE . 2.7 mm -66.1 -57.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.987 ' O ' HD23 ' A' ' 17' ' ' LEU . 16.2 m -43.09 -49.73 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.585 ' SD ' HD13 ' A' ' 11' ' ' LEU . 18.7 ptm -71.14 -23.16 62.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -79.2 -55.63 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.858 HD12 HD13 ' A' ' 79' ' ' LEU . 36.2 mm -54.18 -35.51 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -64.97 -12.16 46.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 8.2 mm100 -71.38 -35.68 71.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.647 ' OG ' HD13 ' A' ' 24' ' ' LEU . 24.1 p -126.11 66.33 59.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -75.04 53.96 3.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 13.1 tt0 -138.96 -78.23 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 172.52 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -179.93 133.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.647 HD13 ' OG ' ' A' ' 19' ' ' SER . 8.8 tp -156.75 172.45 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 75' ' ' ASN . 89.5 m -157.94 117.94 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -50.08 -52.5 34.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 p -47.83 -46.85 31.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.47 85.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.588 HG22 ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -66.1 -59.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.588 ' N ' HG22 ' A' ' 29' ' ' ILE . 2.0 t -49.6 -39.27 34.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -34.03 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -80.82 -17.18 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.51 HG13 ' CD1' ' A' ' 51' ' ' ILE . 30.9 mm -81.55 -56.18 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -57.97 -35.38 71.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.55 -48.58 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -74.63 -37.17 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CE2' HD11 ' A' ' 11' ' ' LEU . 14.8 m-85 -135.86 96.94 12.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD1' ' A' ' 40' ' ' TYR . 20.3 p90 -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.688 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 0.4 OUTLIER -55.17 -46.44 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -33.85 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.71 -25.32 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HD2' HG13 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -79.6 -31.72 41.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE1' ' OP2' ' B' ' 258' ' ' ' DA' . 16.5 t80 -144.91 102.19 4.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.05 3.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.82 67.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 40' ' ' TYR . 4.5 m95 -106.2 13.02 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.953 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' H ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -76.08 -77.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 50' ' ' SER . 5.9 p30 -64.8 -29.91 70.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.585 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 1.9 m -58.76 -60.32 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 33' ' ' ILE . 4.2 tt -64.38 -46.54 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.726 ' CZ ' ' H72' ' C' ' 355' ' ' ' DT' . 1.1 tmm_? -51.78 -41.28 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 15.0 t-80 -59.09 -54.58 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.39 -11.59 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CZ3' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -83.07 -60.48 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -74.24 -49.32 23.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -78.76 75.97 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 1.7 m120 169.74 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 72.6 m-20 -80.02 -56.88 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.9 m 89.08 72.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 1.1 p90 -127.45 -167.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG23 ' HB ' ' A' ' 78' ' ' THR . 15.5 m -119.33 138.83 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -122.83 -179.61 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 10.0 mm -119.59 118.67 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.02 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -36.43 94.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' PRO . 18.6 tt0 -107.6 141.54 23.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLU . 18.2 Cg_endo -75.01 61.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.51 -58.8 0.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.5 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -137.81 121.16 11.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 103.08 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' " O5'" ' C' ' 352' ' ' ' DT' . . . 150.37 -91.4 0.14 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 56.33 1.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.56 108.87 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 77' ' ' TRP . 20.8 p-10 -135.73 -168.38 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -141.77 143.5 33.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.667 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.0 m0 -131.02 144.13 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.598 ' HB ' HG23 ' A' ' 62' ' ' VAL . 28.8 m -132.57 128.29 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD13 HD12 ' A' ' 16' ' ' ILE . 2.7 tt -117.22 155.3 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -73.06 148.14 88.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 80.34 2.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 170.32 40.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.2 p -74.91 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -48.78 -30.6 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.02 -41.45 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.638 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 7.2 tmm? -59.03 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CZ ' ' HE1' ' A' ' 86' ' ' MET . 61.8 m-85 -73.68 -46.6 45.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -57.51 -42.7 83.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -40.6 127.23 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.2 54.44 2.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.96 -44.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -95.47 22.59 6.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 95' ' ' ARG . 2.5 pp -73.55 157.04 37.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.637 ' HD2' ' HB2' ' A' ' 10' ' ' ALA . 13.5 ttt85 -85.89 55.3 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.565 ' H ' HD12 ' A' ' 93' ' ' LEU . 0.8 OUTLIER 71.03 -4.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' C ' ' O ' ' A' ' 95' ' ' ARG . 0.1 OUTLIER 29.63 42.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -173.66 -78.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' CZ ' ' NH1' ' A' ' 95' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.588 " C4'" ' OP1' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.15 -26.954 3 C5'-C4'-O4' 90.944 -11.535 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.588 ' OP1' " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.871 4 O4'-C4'-C3' 97.769 -7.831 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.524 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.622 15.971 3 C5'-C4'-O4' 156.808 29.63 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.433 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.423 4 C5'-C4'-O4' 138.43 18.144 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.548 9.279 3 C5'-C4'-O4' 152.722 27.076 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.514 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.077 -33.511 3 C5'-C4'-O4' 133.373 14.983 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.926 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.098 -31.622 3 C5'-C4'-O4' 138.981 18.488 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.369 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.643 17.927 3 C5'-C4'-O4' 148.513 24.445 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.529 " H1'" " H4'" ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.098 -31.636 2 C1'-O4'-C4' 121.272 8.265 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.75 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.397 -4.423 4 C5'-C4'-O4' 148.611 24.507 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.432 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.488 3.849 4 C5'-C4'-O4' 141.834 20.271 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.114 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.852 36.893 3 C5'-C4'-O4' 156.523 29.452 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.604 14.361 3 C5'-C4'-O4' 156.013 29.133 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.572 " H2'" ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.749 4 C5'-C4'-O4' 147.863 24.04 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.572 ' H72' " H2'" ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.109 -30.633 3 C5'-C4'-O4' 92.641 -10.474 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.533 ' OP1' " H4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.409 3 C5'-C4'-O4' 151.575 26.359 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.457 H5'' ' CD ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.524 7.13 4 C5'-C4'-O4' 148.204 24.253 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.508 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.746 3 O4'-C4'-C3' 99.031 -6.569 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.508 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.549 9.381 3 O4'-C4'-C3' 95.343 -10.257 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.559 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.451 4 C5'-C4'-O4' 132.138 14.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.559 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.702 3 O4'-C4'-C3' 101.138 -4.462 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.468 ' H71' " C2'" ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.509 5.722 4 C5'-C4'-O4' 150.454 25.658 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 1.339 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.663 19.722 3 C5'-C4'-O4' 154.292 28.058 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.726 ' H72' ' CZ ' ' A' ' 52' ' ' ARG . . . . . . . . 0 O4'--C4' 1.479 2.981 3 C5'-C4'-O4' 130.605 13.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.42 H2'' ' OP2' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.559 10.235 3 C5'-C4'-O4' 148.826 24.641 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.75 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.345 3 C5'-C4'-O4' 131.748 13.968 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.748 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.077 -33.539 3 C5'-C4'-O4' 136.753 17.096 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.239 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.706 23.673 3 C5'-C4'-O4' 159.133 31.083 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.539 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.279 4 C5'-C4'-O4' 87.942 -13.412 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.539 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.556 10.044 3 C5'-C4'-O4' 138.932 18.457 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.362 -7.638 4 C5'-C4'-O4' 143.55 21.344 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.568 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.399 -4.276 3 C1'-O4'-C4' 115.872 4.409 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.568 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.613 15.188 2 O4'-C4'-C3' 92.959 -12.641 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.229 -19.709 3 C5'-C4'-O4' 94.361 -9.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.71 156.31 71.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 6' ' ' TYR . 18.1 Cg_endo -75.05 167.63 26.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.547 1.814 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' O ' ' NH2' ' A' ' 94' ' ' ARG . 18.2 Cg_endo -75.03 40.18 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' CD2' ' O ' ' A' ' 7' ' ' SER . 1.7 p90 -101.53 146.73 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.497 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 9.7 t -90.99 -179.94 5.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' N ' ' OG ' ' A' ' 7' ' ' SER . 31.4 m-85 -80.51 -24.16 39.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.558 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.3 pp -40.9 -38.62 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.78 -52.13 65.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.696 HD11 ' CE2' ' A' ' 37' ' ' PHE . 15.1 mt -60.2 -34.3 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.843 HD12 ' HG ' ' A' ' 55' ' ' LEU . 19.7 mm -64.62 -60.55 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.997 HG21 ' CE1' ' A' ' 87' ' ' PHE . 22.7 p -45.71 -37.06 5.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 37.4 ttp -79.33 -29.31 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -67.74 -35.12 78.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.593 HG12 HD13 ' A' ' 79' ' ' LEU . 1.8 mp -83.84 -48.04 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -56.21 -51.19 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.1 pp0? -47.7 -28.6 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.463 ' OG ' HD22 ' A' ' 24' ' ' LEU . 85.3 p -118.71 75.93 13.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 5.28 4.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -9.38 59.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 66.97 58.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER 179.23 105.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -141.2 160.2 40.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 75' ' ' ASN . 51.9 p -115.3 122.48 46.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 2.0 tm? -46.72 -44.15 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' LYS . 88.7 p -57.02 -56.53 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.66 -35.32 66.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' ILE . 1.3 mp -64.7 -51.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -50.32 -45.53 54.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.252 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.76 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -23.87 60.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 11' ' ' LEU . 26.3 mm -77.4 -57.29 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.1 p -55.2 -46.51 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -50.88 -45.22 59.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -67.58 -51.1 54.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 11' ' ' LEU . 2.6 m-85 -124.74 100.8 33.82 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 46.1 p90 -55.72 -37.3 68.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 2.1 t80 -54.23 -40.89 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.72 -35.14 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.39 -11.38 60.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 2.5 tmtt? -105.6 -36.02 7.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.663 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 2.3 t80 -141.09 68.37 27.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' ' CE1' ' A' ' 44' ' ' PHE . . . -178.35 61.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.623 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -111.72 21.18 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 tt0 -54.7 -63.5 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.49 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 0.0 OUTLIER -78.03 -27.62 48.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 3.3 t -60.13 -54.92 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.494 ' CG1' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -69.7 -49.25 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 5.0 mpp_? -50.56 -50.77 52.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.664 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 42.4 t-80 -55.71 -58.31 8.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.21 -13.06 15.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.843 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -82.71 -59.97 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -74.05 -51.55 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 3.9 mm? -71.8 66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 169.46 -55.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.614 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.1 m-20 -75.49 -45.23 39.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 13.2 m 70.44 60.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -121.91 -163.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.46 151.86 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -138.66 160.88 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 76' ' ' TYR . 12.2 tt -116.57 134.24 22.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -75.0 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.88 115.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 9.6 mm-40 -98.56 149.59 35.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.27 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.95 -61.5 6.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.97 100.97 6.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.3 Cg_endo -74.94 -96.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 20.52 -91.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' PRO . 23.0 mtpt -139.36 41.11 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.4 122.36 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' THR . 3.0 p-10 -149.49 172.04 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HG3' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -132.98 140.0 47.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 10.1 m0 -130.13 133.67 46.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.593 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 56.7 m -117.47 129.45 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.869 HD12 ' HD2' ' A' ' 61' ' ' PHE . 5.2 tt -115.35 152.19 33.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.27 148.27 83.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 18.3 Cg_endo -74.98 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 170.76 37.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 79' ' ' LEU . 85.3 p -82.08 -52.9 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -55.04 -26.17 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.76 -40.48 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -60.18 -51.75 68.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.997 ' CE1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -67.18 -28.23 67.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.38 -41.3 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -43.16 -53.71 4.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.73 -141.87 1.66 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.72 47.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 0.72 . . . . 0.0 109.993 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 56.81 46.57 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 138.39 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -72.32 108.23 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 13.4 tpp180 70.72 72.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -158.01 72.98 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 64.48 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.549 " H4'" H5'' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.736 3 C5'-C4'-O4' 92.167 -10.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.661 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.435 4 C5'-C4'-O4' 96.037 -8.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.661 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.623 16.055 3 C5'-C4'-O4' 157.648 30.155 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.367 -7.193 4 C5'-C4'-O4' 147.005 23.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . 0.433 H2'' ' OP2' ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.207 -21.739 3 C1'-O4'-C4' 120.113 7.438 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.572 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.888 3 C5'-C4'-O4' 93.66 -9.837 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.618 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.157 -26.269 3 C5'-C4'-O4' 140.064 19.165 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.618 " H4'" " H1'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.507 5.582 3 C5'-C4'-O4' 153.969 27.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.546 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.357 -8.075 4 C5'-C4'-O4' 146.452 23.158 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.577 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.464 1.643 3 C5'-C4'-O4' 118.032 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.49 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.519 6.641 3 C5'-C4'-O4' 136.006 16.629 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.285 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.631 16.815 3 C5'-C4'-O4' 151.422 26.264 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 0.475 " H4'" ' OP1' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.09 -32.374 3 C5'-C4'-O4' 132.348 14.342 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.649 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.296 -13.612 4 C5'-C4'-O4' 146.526 23.204 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.649 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.135 -28.262 3 C5'-C4'-O4' 93.595 -9.878 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.493 " O5'" " C2'" ' B' ' 263' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.021 3 C5'-C4'-O4' 150.649 25.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.526 7.288 4 C5'-C4'-O4' 147.097 23.561 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.582 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.37 4 O4'-C4'-C3' 98.372 -7.228 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.582 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.553 9.755 3 O4'-C4'-C3' 94.894 -10.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.468 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.429 -1.57 4 C5'-C4'-O4' 138.363 18.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.56 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.743 3 C5'-C4'-O4' 121.718 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.56 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.553 9.735 3 C5'-C4'-O4' 153.144 27.34 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.497 ' N7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.603 14.318 3 O4'-C4'-C3' 93.452 -12.148 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.488 ' H72' ' C8 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.49 4.001 3 C5'-C4'-O4' 128.095 11.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.411 ' H71' " C2'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.541 8.609 3 C5'-C4'-O4' 137.421 17.513 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.664 ' N6 ' ' CD2' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.564 10.707 3 C5'-C4'-O4' 138.482 18.176 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.461 ' H71' H2'' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.577 11.954 3 C5'-C4'-O4' 153.7 27.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.179 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.821 34.06 3 O4'-C4'-C3' 80.135 -25.465 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.569 ' C6 ' ' H72' ' C' ' 361' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -3.026 4 C5'-C4'-O4' 87.742 -13.536 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.569 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.554 9.785 3 C5'-C4'-O4' 140.062 19.163 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.414 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.367 -7.212 4 C5'-C4'-O4' 146.154 22.971 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.615 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.413 -3.017 4 O4'-C4'-C3' 101.043 -4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.615 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.599 13.869 2 O4'-C4'-C3' 93.161 -12.439 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.239 -18.826 3 C5'-C4'-O4' 95.829 -8.482 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 2' ' ' VAL . 10.3 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 0.6 OUTLIER 177.22 174.8 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.03 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.94 40.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.81 161.18 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.669 ' HA ' ' P ' ' B' ' 256' ' ' ' DA' . 13.6 p -67.62 113.78 5.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' CE1' ' CZ3' ' A' ' 47' ' ' TRP . 1.5 m-85 -56.08 -37.18 68.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.967 HG22 ' OD1' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -40.01 -36.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -82.61 -54.91 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' TYR . 5.9 mt -47.07 -33.27 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.697 HG21 ' HA ' ' A' ' 55' ' ' LEU . 46.8 mm -79.87 -44.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.807 HG21 ' CE2' ' A' ' 87' ' ' PHE . 1.2 m -45.16 -44.87 11.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 7.6 ptt? -82.05 -37.34 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -56.14 -32.27 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.042 HG21 HD13 ' A' ' 79' ' ' LEU . 24.1 mm -86.26 -51.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.75 -40.9 73.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp0? -40.05 -37.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 m -74.67 112.77 18.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -74.94 -0.26 9.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -120.72 19.59 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 35.4 54.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 136.05 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 29' ' ' ILE . 1.7 pt? -170.21 -177.28 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 75' ' ' ASN . 25.4 p -117.57 135.4 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -48.9 -46.12 42.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.438 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 31.1 t -48.72 -49.76 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -27.39 58.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.41 -49.75 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -50.44 -43.36 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.31 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 13.7 t80 -62.18 -31.33 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 32' ' ' PHE . 49.5 mm -82.32 -44.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -59.26 -55.82 29.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -48.96 -34.06 12.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -72.81 -52.76 13.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.13 122.32 32.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.611 ' CG ' ' N ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -55.13 -36.75 66.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 3.0 m-85 -64.44 -40.25 95.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -76.03 -23.51 55.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -58.0 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' PHE . 8.5 ttpt -69.49 -56.33 7.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 1.2 t80 31.46 64.69 1.05 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -74.99 -23.05 14.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 174.85 54.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 5.4 m95 -70.33 -3.54 17.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -67.76 -75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 50' ' ' SER . 21.1 p30 -75.02 -28.52 60.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.505 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 41.5 t -57.39 -57.58 12.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 5.3 mt -64.58 -53.85 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HG2' ' CH2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -49.56 -38.3 30.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.814 ' CE1' HD22 ' A' ' 57' ' ' LEU . 6.7 t60 -61.46 -56.5 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 28.6 m120 -69.58 -8.51 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.697 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -83.13 -57.95 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -82.02 -48.58 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.024 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.814 HD22 ' CE1' ' A' ' 53' ' ' HIS . 1.3 tp -68.72 79.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.967 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 160.44 -49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.583 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -79.37 -64.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.8 t 95.34 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.81 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -117.79 -163.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.48 154.39 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 179.49 6.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' OE2' ' A' ' 67' ' ' GLU . 9.3 mm -119.8 118.55 31.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' GLU . 18.4 Cg_endo -75.01 -171.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PRO . 6.1 mt-10 -113.12 166.68 10.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.2 Cg_endo -75.0 58.72 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -100.75 -75.78 1.17 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -139.76 124.82 11.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.58 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.54 -93.56 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.9 OUTLIER -143.14 55.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' N ' ' OP1' ' C' ' 353' ' ' ' DT' . . . -130.51 137.02 9.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 25' ' ' THR . 53.5 p-10 -162.0 -165.75 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 35.9 m-85 -135.4 144.67 46.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.544 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 7.2 m95 -137.74 142.48 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 59.1 m -140.89 137.48 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.042 HD13 HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -120.11 147.09 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.08 164.07 24.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.35 3.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' SER . 10.3 pt20 -121.91 -39.86 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.706 ' CB ' HD11 ' A' ' 79' ' ' LEU . 15.3 t -52.95 -43.33 66.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.79 -53.31 59.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -61.29 -37.72 84.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -60.3 -43.42 96.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.807 ' CE2' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER -67.76 -53.28 28.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -47.04 -49.45 21.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -56.17 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.3 46.68 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' C ' HD12 ' A' ' 93' ' ' LEU . 29.6 m-85 -133.73 -42.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.612 HD12 ' C ' ' A' ' 92' ' ' PHE . 3.3 mp 71.32 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' NH1' ' NH1' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -70.13 -153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' CZ ' ' NH2' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -112.5 39.49 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.89 -45.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -61.36 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.581 ' NH2' ' CZ ' ' A' ' 95' ' ' ARG . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.556 10.009 3 O4'-C4'-C3' 91.951 -13.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.576 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.472 2.402 4 C5'-C4'-O4' 95.109 -8.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 1.222 " O4'" " C4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.641 17.735 3 C5'-C4'-O4' 155.089 28.556 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.558 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.517 4 C5'-C4'-O4' 134.777 15.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . 0.412 ' N3 ' ' HD2' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.514 6.162 4 C5'-C4'-O4' 152.761 27.101 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.582 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.106 -30.931 3 C5'-C4'-O4' 137.957 17.848 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.582 " H4'" " H1'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.542 8.768 3 C5'-C4'-O4' 153.538 27.586 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.778 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.091 -32.297 3 C1'-O4'-C4' 121.83 8.664 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 1.199 " O4'" " C4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.782 30.558 3 C5'-C4'-O4' 154.094 27.934 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.797 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.105 -30.978 3 C5'-C4'-O4' 139.663 18.915 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.877 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.101 -31.352 3 C5'-C4'-O4' 139.644 18.903 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.238 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.733 26.074 3 C5'-C4'-O4' 158.355 30.597 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.387 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.637 17.404 3 C5'-C4'-O4' 150.154 25.471 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.508 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.596 13.616 3 C5'-C4'-O4' 154.896 28.435 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.508 ' H71' H2'' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.582 12.335 3 C5'-C4'-O4' 148.6 24.5 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.496 4.566 4 C5'-C4'-O4' 134.552 15.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.437 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.549 9.374 4 C5'-C4'-O4' 150.664 25.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.505 ' C8 ' ' H72' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.484 4 C5'-C4'-O4' 129.977 12.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.505 ' H72' ' C8 ' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.575 11.685 3 O4'-C4'-C3' 94.12 -11.48 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.578 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.496 4.555 4 C5'-C4'-O4' 138.121 17.95 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.578 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.064 1 O4'-C1'-N19 111.174 4.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.493 ' OP1' ' N ' ' A' ' 74' ' ' GLY . . . . . . . . 1 O4'--C4' 1.567 11.012 3 C5'-C4'-O4' 152.398 26.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.573 ' C2 ' ' C2 ' ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.57 11.24 3 O4'-C4'-C3' 94.867 -10.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.556 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.504 5.267 3 C5'-C4'-O4' 135.745 16.466 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.436 4 C5'-C4'-O4' 137.204 17.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.16 3 C5'-C4'-O4' 134.129 15.456 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 1.191 " O4'" " C4'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.681 21.336 3 C5'-C4'-O4' 156.96 29.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.725 " H2'" ' H72' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.246 3 C5'-C4'-O4' 139.144 18.59 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.725 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.555 9.944 3 O4'-C4'-C3' 89.514 -16.086 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.374 4 C5'-C4'-O4' 140.95 19.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.333 -10.28 4 C5'-C4'-O4' 143.528 21.33 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.574 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.545 3 O4'-C4'-C3' 101.214 -4.386 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.574 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.619 15.733 3 O4'-C4'-C3' 93.534 -12.066 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.227 -19.873 3 C5'-C4'-O4' 96.361 -8.149 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HG2' ' CD ' ' A' ' 4' ' ' PRO . 4.4 mttp -176.6 174.8 0.68 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.0 142.87 28.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.1 Cg_endo -74.99 136.92 21.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -71.14 -175.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.611 ' HA ' ' OP2' ' B' ' 256' ' ' ' DA' . 82.9 p -68.36 108.96 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.751 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.6 m-85 -52.38 -31.24 32.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.613 HG22 ' OD1' ' A' ' 58' ' ' ASN . 1.5 pp -58.97 -36.54 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.73 -41.63 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.5 mp -64.99 -48.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.848 HG21 ' CD1' ' A' ' 87' ' ' PHE . 22.0 m -50.1 -37.27 33.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ttp -79.95 -28.14 39.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HD13 ' A' ' 24' ' ' LEU . . . -72.39 -29.02 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.047 HD12 HD21 ' A' ' 24' ' ' LEU . 1.7 tp -87.42 -32.8 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -75.8 -34.57 60.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp0? -52.13 -37.6 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -74.23 110.82 10.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.95 -3.83 14.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -119.78 29.23 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 21' ' ' GLN . 1.4 mppt? 34.77 60.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 7.5 tttt -165.81 137.1 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.047 HD21 HD12 ' A' ' 16' ' ' ILE . 1.7 pt? -161.43 172.05 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ASN . 20.6 p -121.81 123.93 42.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -45.56 -42.07 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.528 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 4.6 m -65.49 -56.88 9.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.61 52.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.843 HG12 HD12 ' A' ' 24' ' ' LEU . 1.2 mp -69.13 -46.1 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -36.34 57.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.96 -41.72 50.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.94 -29.1 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' CD1' ' A' ' 37' ' ' PHE . 3.6 mt -82.29 -55.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 p -45.08 -33.27 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.952 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.65 -47.27 76.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -66.79 -57.36 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CD1' HG23 ' A' ' 33' ' ' ILE . 1.1 m-85 -102.51 110.5 63.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.94 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 40' ' ' TYR . 50.2 p90 -53.69 -33.47 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CD1' ' CE2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -61.01 -40.2 92.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -75.81 -17.58 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.2 mm-40 -72.51 -50.66 24.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -76.66 -50.33 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 47' ' ' TRP . 3.4 t80 16.73 64.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.04 -16.42 20.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 169.84 57.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.3 m95 -77.26 6.53 6.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 46' ' ' ALA . 1.3 tt0 -78.48 -76.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 50' ' ' SER . 22.6 p30 -74.94 -27.19 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.533 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 18.2 t -52.47 -58.1 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.623 HG13 ' N ' ' A' ' 52' ' ' ARG . 3.2 pt -71.96 -47.61 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -47.92 -35.55 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.52 ' CD2' ' H73' ' B' ' 257' ' ' ' DT' . 2.9 t60 -72.81 -54.98 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' OD1' ' C7 ' ' B' ' 257' ' ' ' DT' . 4.8 m120 -65.4 -10.93 37.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -82.85 -59.74 2.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 7.0 t -76.04 -50.43 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.942 HD11 ' H72' ' C' ' 356' ' ' ' DT' . 4.9 mp -74.29 78.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.613 ' OD1' HG22 ' A' ' 9' ' ' ILE . 1.8 m120 157.23 -52.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.8 OUTLIER -73.46 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.0 OUTLIER 92.73 52.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.759 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -121.49 -169.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.45 146.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.37 -179.26 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -119.39 119.33 31.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB3' " C5'" ' C' ' 354' ' ' ' DG' . 18.3 Cg_endo -74.95 179.49 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.76 163.54 34.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' N ' H5'' ' B' ' 265' ' ' ' DC' . 18.3 Cg_endo -75.0 57.49 4.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.57 -75.95 1.32 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' N ' ' ND2' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -135.79 139.31 30.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -80.57 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 53.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.85 118.86 6.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 8.8 p-10 -164.78 162.33 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.506 ' HB2' HD12 ' A' ' 64' ' ' ILE . 29.0 m-85 -129.67 148.46 51.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.643 ' CZ3' ' HG2' ' A' ' 63' ' ' LYS . 10.6 m95 -134.31 129.54 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 44.1 p -125.05 132.97 53.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.759 HD12 ' HD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -116.3 156.73 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -66.7 146.41 99.07 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.95 3.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 177.78 35.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.745 ' HB3' HD21 ' A' ' 79' ' ' LEU . 13.6 p -81.61 -34.33 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -51.95 55.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.433 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t0 -56.58 -31.66 64.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -48.18 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.848 ' CD1' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -67.53 -53.58 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.38 -48.69 73.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 85' ' ' ASP . 14.8 m-20 -45.28 -49.68 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.03 -55.07 5.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.97 34.78 23.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 11.1 m-85 -121.37 -30.03 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.33 -73.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.576 ' HD3' ' HB2' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -179.02 155.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.576 ' HB2' ' HD3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 76.31 70.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -143.85 -56.1 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 1.5 pttm -144.75 97.88 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' CG ' ' OP1' ' C' ' 364' ' ' ' DG' . 33.3 mmm-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.534 7.974 4 O4'-C4'-C3' 92.388 -13.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.596 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.847 4 C5'-C4'-O4' 94.121 -9.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 1.267 " C4'" " O4'" ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.653 18.792 3 C5'-C4'-O4' 150.505 25.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.455 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.52 6.734 4 C5'-C4'-O4' 138.442 18.151 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.536 8.155 4 C5'-C4'-O4' 151.377 26.236 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.655 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.075 -33.758 3 C5'-C4'-O4' 137.102 17.314 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.183 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.697 22.815 3 C5'-C4'-O4' 158.09 30.431 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.278 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.73 25.781 3 O4'-C4'-C3' 87.206 -18.394 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 1.261 " C4'" " O4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.671 20.471 3 C5'-C4'-O4' 152.648 27.03 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.58 ' N7 ' ' C2 ' ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.549 9.344 4 C5'-C4'-O4' 142.032 20.395 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 1.295 " C4'" " O4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.635 17.21 3 C5'-C4'-O4' 155.031 28.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.139 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.826 34.568 3 C5'-C4'-O4' 156.941 29.713 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.336 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.662 19.648 3 C5'-C4'-O4' 153.136 27.335 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.47 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.603 14.309 3 C5'-C4'-O4' 153.658 27.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.47 ' H71' H2'' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.623 16.064 3 C5'-C4'-O4' 149.113 24.82 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.521 6.838 4 C5'-C4'-O4' 128.194 11.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.446 H5'' ' N ' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.528 7.45 4 C5'-C4'-O4' 146.63 23.269 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.467 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.634 4 C5'-C4'-O4' 127.247 11.155 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.467 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.586 12.742 3 O4'-C4'-C3' 94.077 -11.523 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.524 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.484 3.427 3 C5'-C4'-O4' 126.925 10.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.526 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.505 5.351 3 C5'-C4'-O4' 121.511 7.569 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.526 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.609 14.779 3 C5'-C4'-O4' 149.018 24.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.544 ' N7 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.626 16.375 3 C5'-C4'-O4' 144.174 21.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.524 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.504 5.318 3 C5'-C4'-O4' 132.449 14.405 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.942 ' H72' HD11 ' A' ' 57' ' ' LEU . . . . . . . . 0 O4'--C4' 1.481 3.17 4 C5'-C4'-O4' 140.841 19.65 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.621 " H4'" ' OP1' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.11 -30.59 3 C5'-C4'-O4' 131.991 14.119 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.621 ' OP1' " H4'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.523 6.967 3 C5'-C4'-O4' 154.95 28.468 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.142 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.837 35.518 3 O4'-C4'-C3' 79.108 -26.492 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.553 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.327 -10.837 3 C5'-C4'-O4' 91.155 -11.403 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.481 ' H71' " C2'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.524 7.12 4 C5'-C4'-O4' 144.982 22.239 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.466 4 C5'-C4'-O4' 149.728 25.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.574 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.382 -5.852 2 C1'-O4'-C4' 116.458 4.827 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.574 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.629 16.664 3 O4'-C4'-C3' 92.758 -12.842 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.195 -22.798 3 C1'-O4'-C4' 120.843 7.959 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.61 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -106.57 -65.51 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -74.98 115.59 4.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.575 1.829 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB2' ' OP1' ' B' ' 257' ' ' ' DT' . 18.2 Cg_endo -74.98 129.48 12.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -120.21 155.85 32.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.457 ' HB2' ' P ' ' B' ' 256' ' ' ' DA' . 0.4 OUTLIER -70.5 152.13 44.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' ILE . 45.1 m-85 -87.7 -8.77 55.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.518 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.2 pp -38.98 -43.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -60.14 -50.89 71.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 37' ' ' PHE . 7.0 mt -59.81 -33.18 71.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 55' ' ' LEU . 20.3 mm -65.07 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.649 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.3 p -45.18 -38.52 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' CG ' ' A' ' 18' ' ' GLN . 22.8 ttp -78.54 -27.09 45.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -70.76 -36.71 73.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 55' ' ' LEU . 1.9 mp -81.75 -33.47 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 13' ' ' THR . 3.9 mm? -75.44 -44.87 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 2.0 pp0? -60.96 -15.4 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 p -124.66 68.35 52.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.02 -9.99 20.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.81 -5.91 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.88 74.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.73 118.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.879 HD23 HD11 ' A' ' 29' ' ' ILE . 2.7 mp -123.52 175.62 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 ' H ' HD12 ' A' ' 29' ' ' ILE . 1.7 t -166.88 114.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.865 HD11 ' NH2' ' A' ' 52' ' ' ARG . 2.6 tm? -45.58 -42.67 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 33.3 p -57.06 -51.47 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.45 -28.12 71.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.879 HD11 HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.33 -59.03 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.0 t -56.09 -35.91 67.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.07 -23.34 55.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.42 -31.55 37.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.542 HG23 ' CE1' ' A' ' 37' ' ' PHE . 25.7 mt -80.92 -55.15 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.8 p -43.72 -38.78 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.39 -35.26 62.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.602 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 4.8 mmt180 -78.35 -40.78 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CE1' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -128.01 106.87 20.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -42.06 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.767 ' CD2' HG13 ' A' ' 2' ' ' VAL . 1.1 t80 -51.69 -40.74 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -61.32 -40.64 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -77.95 -16.11 58.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -45.59 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -44.81 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 46' ' ' ALA . 17.1 t80 52.78 73.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 34.52 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 65.64 57.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.601 ' CE3' HD13 ' A' ' 51' ' ' ILE . 9.4 p-90 -90.33 -5.55 56.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -55.38 -37.48 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 26.9 m-20 -78.69 -31.32 46.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 10.9 m -61.93 -54.36 42.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD13 ' CE3' ' A' ' 47' ' ' TRP . 2.5 pt -65.37 -57.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.865 ' NH2' HD11 ' A' ' 26' ' ' LEU . 32.3 mtt180 -50.07 -38.64 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 20.6 t-80 -67.59 -56.69 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -63.62 -10.64 19.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -82.46 -57.33 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -51.12 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.3 mm? -74.21 77.28 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER 161.02 -52.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -80.07 -63.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 91.32 65.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.665 ' CD2' HD12 ' A' ' 79' ' ' LEU . 3.3 p90 -125.77 -158.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.782 HG23 ' HB ' ' A' ' 78' ' ' THR . 29.9 m -116.6 162.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -148.44 167.16 26.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.3 tt -116.0 122.39 32.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.4 Cg_endo -74.94 -177.2 3.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -43.61 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.92 162.27 52.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.31 4.35 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.91 53.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 2.6 m120 -115.43 89.45 21.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.73 4.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 105.23 -55.92 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -142.53 59.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -113.09 67.4 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' HB3' " C5'" ' C' ' 353' ' ' ' DT' . 3.2 p-10 -138.47 170.21 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.95 153.95 31.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.616 ' CZ2' ' HB2' ' A' ' 26' ' ' LEU . 29.2 m0 -116.86 176.26 5.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.782 ' HB ' HG23 ' A' ' 62' ' ' VAL . 18.9 m -143.78 144.72 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -119.92 159.93 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -86.67 156.55 55.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.4 Cg_endo -74.97 84.63 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER 166.66 43.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.432 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.5 t -77.19 -45.98 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.18 -49.3 76.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.47 94.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.404 ' HE1' ' CZ ' ' A' ' 87' ' ' PHE . 19.8 ttp -62.23 -45.25 94.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' HG22 ' A' ' 13' ' ' THR . 3.4 m-85 -88.56 20.94 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.0 -59.34 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.36 -51.94 8.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.38 55.68 4.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.7 p -151.78 -45.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.12 101.66 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 95' ' ' ARG . 0.5 OUTLIER -82.19 47.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.462 ' HD3' " H4'" ' C' ' 363' ' ' ' DA' . 0.0 OUTLIER -166.22 -67.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.95 -50.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.95 116.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' NH1' ' OP2' ' B' ' 256' ' ' ' DA' . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.412 H2'' " H5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.469 2.066 3 O4'-C4'-C3' 95.759 -9.841 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.562 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.31 -12.322 3 C1'-O4'-C4' 119.289 6.85 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.562 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.713 3 C5'-C4'-O4' 129.169 12.356 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.463 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.465 1.725 4 C5'-C4'-O4' 131.028 13.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.527 7.358 4 C5'-C4'-O4' 149.375 24.984 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.703 " H1'" " H4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.078 -33.44 3 C5'-C4'-O4' 126.933 10.958 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.344 " O4'" " C4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.665 19.909 3 C5'-C4'-O4' 146.233 23.021 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.472 ' OP2' ' NH1' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.521 6.794 4 C5'-C4'-O4' 146.226 23.016 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.574 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.568 11.086 3 C5'-C4'-O4' 146.578 23.236 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.819 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.514 6.192 4 C5'-C4'-O4' 147.588 23.867 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.547 " H4'" ' OP1' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.099 -31.515 3 C5'-C4'-O4' 128.673 12.046 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 0.547 ' OP1' " H4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.543 8.821 3 C5'-C4'-O4' 156.339 29.337 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 0.416 ' OP2' H2'' ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.507 5.59 4 C5'-C4'-O4' 149.207 24.88 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.564 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 139.892 19.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.564 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.082 -33.108 3 C5'-C4'-O4' 136.72 17.075 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.6 " H1'" " H4'" ' B' ' 265' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.076 -33.636 3 C5'-C4'-O4' 137.097 17.311 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.6 " H4'" " H1'" ' B' ' 264' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.409 3 C5'-C4'-O4' 150.133 25.458 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.411 -3.143 4 O4'-C4'-C3' 97.869 -7.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.504 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.581 12.276 3 O4'-C4'-C3' 93.758 -11.842 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.523 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.389 -5.14 4 C5'-C4'-O4' 131.957 14.098 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.523 ' H71' " C2'" ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.519 6.642 3 C5'-C4'-O4' 133.193 14.871 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.47 ' OP2' H2'' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.58 12.221 3 C5'-C4'-O4' 154.595 28.247 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.613 ' C8 ' ' H72' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.592 13.253 3 O4'-C4'-C3' 94.901 -10.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.613 ' H72' ' C8 ' ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.502 5.095 4 C5'-C4'-O4' 142.013 20.383 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.442 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.345 -9.157 4 C5'-C4'-O4' 146.783 23.364 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.819 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.246 -18.178 2 C5'-C4'-O4' 94.856 -9.09 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.727 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.139 -27.895 3 C5'-C4'-O4' 91.982 -10.887 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.727 ' H72' " H2'" ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.167 -25.384 3 C5'-C4'-O4' 141.637 20.148 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.706 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.069 -34.25 3 C5'-C4'-O4' 87.466 -13.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.644 ' H72' " H2'" ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.325 -11.021 4 C5'-C4'-O4' 149.278 24.924 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.413 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.34 -9.676 4 C5'-C4'-O4' 134.592 15.745 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.59 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.394 -4.768 3 C1'-O4'-C4' 116.375 4.768 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.364 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.641 17.767 3 O4'-C4'-C3' 92.636 -12.964 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.223 -20.26 3 C5'-C4'-O4' 96.18 -8.262 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 19.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER 172.37 148.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.7 3.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.5 Cg_endo -74.92 -57.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 5' ' ' PRO . 1.3 m-85 -141.7 172.36 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB3' H5'' ' B' ' 256' ' ' ' DA' . 99.6 p -69.04 -175.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 84.9 m-85 -82.82 -27.18 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 94' ' ' ARG . 1.2 pp -46.38 -43.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.26 86.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.8 mt -61.61 -23.95 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 51' ' ' ILE . 3.2 mm -78.6 -57.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.917 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.2 p -46.69 -34.59 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -83.08 -38.51 22.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.34 -38.52 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 79' ' ' LEU . 39.6 mm -81.6 -52.3 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 13' ' ' THR . 4.2 mm? -50.78 -44.89 58.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.33 -27.87 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.844 ' OG ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -115.34 86.18 14.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -89.38 16.59 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 34.66 68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -178.96 112.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD22 ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -157.07 174.25 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 75' ' ' ASN . 54.5 m -120.36 128.09 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.644 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -51.19 -44.42 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.403 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 1.0 OUTLIER -57.99 -56.23 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.52 -26.22 56.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.416 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -72.12 -49.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -55.43 -36.21 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.73 -36.77 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -67.25 -31.47 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 32' ' ' PHE . 6.4 mt -74.22 -58.06 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -54.29 -27.58 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.43 -52.27 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 4.0 mmm180 -65.67 -57.5 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 11' ' ' LEU . 16.5 m-85 -91.4 116.63 66.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -50.68 -42.36 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -65.8 -33.02 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -71.5 -42.66 67.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -11.8 59.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' C ' ' HD3' ' A' ' 45' ' ' PRO . 10.1 mttp -142.5 72.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.79 ' CD1' ' CD1' ' A' ' 47' ' ' TRP . 0.5 OUTLIER -112.86 76.09 2.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -75.02 41.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 63.18 59.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CD1' ' CD1' ' A' ' 44' ' ' PHE . 36.2 p-90 -82.09 6.13 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.48 HE21 ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -52.77 -45.18 67.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.545 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 89.9 m-20 -64.53 -37.77 88.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 4.3 m -66.55 -59.9 3.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 12' ' ' ILE . 2.1 tp -51.61 -60.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -51.65 -46.82 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.543 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 5.7 t60 -54.8 -58.1 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.87 -8.94 32.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.667 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -79.46 -52.25 8.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.649 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.6 -48.06 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.56 76.3 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.23 -59.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 10.6 m-20 -80.84 -58.16 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.91 76.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.869 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -131.61 -163.86 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -117.53 145.46 23.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -126.79 176.61 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 76' ' ' TYR . 7.5 mm -118.2 105.03 47.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.97 158.94 42.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -24.64 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.6 mt-10 -120.11 170.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' C ' ' OD1' ' A' ' 70' ' ' ASN . . . 158.9 40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 69' ' ' GLY . 3.0 m-20 -135.71 76.98 52.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.4 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' HA2' ' OP1' ' C' ' 352' ' ' ' DT' . . . 95.5 -73.63 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.0 OUTLIER -143.88 61.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.81 76.21 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' CG ' HG23 ' A' ' 25' ' ' THR . 11.9 p-10 -109.91 -169.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.466 ' O ' ' HB ' ' A' ' 64' ' ' ILE . 56.7 m-85 -148.57 142.18 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 26' ' ' LEU . 8.6 m95 -134.8 135.21 41.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 38.5 m -127.74 136.06 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.915 HD23 ' O ' ' A' ' 80' ' ' ASP . 8.6 tt -118.24 167.93 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.915 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.2 m-20 -78.53 143.56 63.87 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.31 2.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 168.78 45.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' MET . 43.1 t -80.22 -48.09 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -32.1 69.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.89 -43.02 99.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -51.29 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -65.93 -51.28 59.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -49.4 70.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -59.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.9 -167.74 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.4 t -136.06 47.39 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 68.59 36.07 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.86 168.84 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.475 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 16.2 ttp85 176.03 78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.552 ' CZ ' ' NH1' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 168.7 -57.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 73.73 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.01 134.05 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' NH1' ' CZ ' ' A' ' 95' ' ' ARG . 9.8 ptm180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.488 " H4'" " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.531 7.719 3 C5'-C4'-O4' 99.436 -6.227 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.535 H2'' ' OP2' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.193 -22.985 3 C5'-C4'-O4' 97.101 -7.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.535 ' OP2' H2'' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.516 6.34 4 O4'-C4'-C3' 95.274 -10.326 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.501 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.502 -1.552 4 C5'-C4'-O4' 135.416 16.26 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.477 2.81 4 C5'-C4'-O4' 145.374 22.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.487 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.076 -33.659 3 C5'-C4'-O4' 137.516 17.572 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.814 " H1'" " H4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.889 3 C5'-C4'-O4' 141.436 20.022 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.28 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.704 23.418 3 C5'-C4'-O4' 158.357 30.598 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.543 ' O4 ' ' CG ' ' A' ' 53' ' ' HIS . . . . . . . . 1 O4'--C4' 1.535 8.098 3 C5'-C4'-O4' 155.34 28.712 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.521 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.524 4 C5'-C4'-O4' 148.28 24.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 1.348 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.653 18.842 3 C5'-C4'-O4' 136.982 17.239 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.163 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.733 26.08 3 C5'-C4'-O4' 158.983 30.99 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.259 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.636 17.308 3 C5'-C4'-O4' 150.955 25.972 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 1.329 " O4'" " C4'" ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.633 16.989 3 C5'-C4'-O4' 156.761 29.601 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.572 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.602 14.159 3 C5'-C4'-O4' 148.954 24.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.531 " H5'" ' CZ ' ' A' ' 66' ' ' ARG . . . . . . . . 0 O4'--C4' 1.477 2.84 4 C5'-C4'-O4' 133.604 15.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.567 11.008 3 C5'-C4'-O4' 139.358 18.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.483 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.041 4 O4'-C4'-C3' 95.648 -9.952 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.483 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.594 13.448 3 O4'-C4'-C3' 93.922 -11.678 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.488 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.402 -3.957 4 C5'-C4'-O4' 130.424 13.14 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.522 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.488 3.826 3 C5'-C4'-O4' 129.475 12.547 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.522 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.546 9.07 3 C5'-C4'-O4' 154.564 28.227 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.576 " C2'" ' H71' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.572 11.46 3 O4'-C4'-C3' 93.986 -11.614 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.508 5.657 3 C5'-C4'-O4' 128.473 11.92 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.475 ' H72' ' C6 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.491 4.073 3 C5'-C4'-O4' 130.365 13.103 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.528 H2'' ' H71' ' C' ' 358' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.57 11.234 3 C5'-C4'-O4' 136.767 17.105 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.528 ' H71' H2'' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.541 8.606 4 C5'-C4'-O4' 150.039 25.399 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.174 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.825 34.443 3 O4'-C4'-C3' 79.505 -26.095 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.473 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.426 -1.789 4 C5'-C4'-O4' 90.933 -11.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.467 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.55 9.428 4 C5'-C4'-O4' 148.31 24.319 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.404 H2'' ' OP2' ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.322 -11.284 3 C5'-C4'-O4' 140.253 19.283 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.577 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.411 -3.149 3 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.577 ' OP1' " C4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.621 15.895 3 O4'-C4'-C3' 92.993 -12.607 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.265 -16.418 3 C5'-C4'-O4' 94.229 -9.482 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.643 HG23 ' CG ' ' A' ' 39' ' ' TYR . 73.7 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.68 67.9 3.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 153.19 41.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -68.69 145.78 53.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' " H3'" ' B' ' 256' ' ' ' DA' . 51.2 p -76.43 -168.71 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 51' ' ' ILE . 40.7 m-85 -82.31 -22.15 35.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.927 HD11 ' OD1' ' A' ' 58' ' ' ASN . 3.7 tp -42.72 -38.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . -67.44 -55.59 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 37' ' ' PHE . 41.9 mt -54.44 -35.89 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.711 HG13 HD13 ' A' ' 55' ' ' LEU . 1.6 mp -72.76 -39.41 59.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 23.8 m -52.76 -50.57 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 ptm -76.68 -23.92 53.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -63.17 -39.44 94.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.782 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -83.31 -38.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 1.5 mp -66.35 -50.0 65.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 1.6 pp0? -48.87 -27.81 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -117.37 73.14 7.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.1 Cg_endo -75.04 -0.02 9.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 2.3 tt0 -69.6 -17.73 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 21' ' ' GLN . 13.3 tttm 85.52 69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.83 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 mttt 179.28 128.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.83 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.3 mm? -127.54 170.37 12.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.59 ' H ' HD13 ' A' ' 29' ' ' ILE . 53.2 p -155.81 99.71 2.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -40.04 -40.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 t -66.3 -52.11 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.08 76.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 25' ' ' THR . 1.3 mp -70.87 -52.94 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t -55.83 -36.82 67.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -42.48 65.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.62 -28.86 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 32' ' ' PHE . 22.1 mm -80.74 -42.11 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -58.53 -49.93 75.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -39.42 78.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -72.13 -52.11 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 11' ' ' LEU . 54.6 m-85 -119.25 106.66 42.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' GLU . 18.2 Cg_endo -75.02 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CG ' HG23 ' A' ' 2' ' ' VAL . 3.6 m-85 -50.4 -40.86 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.052 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -43.41 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.6 -15.71 55.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -76.23 -47.9 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.664 ' O ' ' N ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -112.53 31.15 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.4 t80 -20.48 82.77 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -74.98 39.91 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 44' ' ' PHE . . . 58.6 59.45 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB2' ' A' ' 50' ' ' SER . 5.4 p-90 -95.83 31.38 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 8.7 tt0 -74.58 -64.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.482 ' CG ' ' H62' ' B' ' 259' ' ' ' DA' . 0.9 OUTLIER -71.18 -22.24 62.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -58.68 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.549 ' HB ' HD11 ' A' ' 12' ' ' ILE . 38.9 pt -68.15 -47.01 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.653 ' CD ' ' H72' ' C' ' 355' ' ' ' DT' . 0.0 OUTLIER -55.05 -33.43 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.603 ' CG ' ' O4 ' ' B' ' 257' ' ' ' DT' . 11.4 t-80 -68.93 -53.96 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -68.48 -12.12 60.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 16' ' ' ILE . 8.9 tp -83.47 -56.84 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.3 t -82.02 -50.25 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -73.69 75.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.927 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER 158.64 -47.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CB ' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -80.74 -44.67 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.9 m 66.21 61.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' A' ' 78' ' ' THR . 0.1 OUTLIER -118.53 -159.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 78' ' ' THR . 7.4 t -120.04 149.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -137.0 169.7 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.6 tt -118.15 129.77 25.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.96 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -45.28 115.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -89.94 140.64 27.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.03 -18.75 18.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 -58.19 14.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.11 114.8 7.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.4 Cg_endo -75.01 -92.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 17.16 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 71' ' ' PRO . 2.6 mtmp? -140.12 37.73 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.3 105.26 3.27 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.542 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 1.3 p-10 -157.6 163.06 38.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -151.79 148.35 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 19.3 m0 -118.1 150.3 39.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.054 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.545 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m -121.11 138.6 54.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 80' ' ' ASP . 3.1 tt -117.13 148.0 41.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.75 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -91.03 167.91 14.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.07 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER 164.88 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -56.11 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -49.13 76.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.26 -40.07 84.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.9 -51.06 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 13' ' ' THR . 9.8 m-85 -68.35 -33.37 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.7 32.16 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.95 -56.02 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.84 -122.13 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.42 56.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -175.54 64.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.3 -83.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -177.62 47.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.458 ' NH1' H5'' ' B' ' 255' ' ' ' DA' . 33.7 mmt-85 -130.28 -63.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER 51.12 84.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER 35.95 63.29 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.752 ' NH2' " H4'" ' B' ' 255' ' ' ' DA' . 17.2 ttt180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 1.345 " O4'" " C4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.637 17.402 3 C5'-C4'-O4' 90.577 -11.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.697 " H2'" ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.074 -33.841 3 C1'-O4'-C4' 123.316 9.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.697 ' H72' " H2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.35 3 C5'-C4'-O4' 152.267 26.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.543 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.462 4 C5'-C4'-O4' 121.756 7.722 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.512 4 C5'-C4'-O4' 143.63 21.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 1.27 " O4'" " C4'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.684 21.602 3 C5'-C4'-O4' 147.739 23.962 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.752 " H4'" ' NH2' ' A' ' 98' ' ' ARG . . . . . . . . 1 O4'--C4' 1.104 -31.066 3 C5'-C4'-O4' 139.236 18.648 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.173 " O4'" " C4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.696 22.767 3 C5'-C4'-O4' 160.065 31.666 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.74 ' H72' ' C8 ' ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.491 4.081 4 C5'-C4'-O4' 151.209 26.131 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.678 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.503 -1.458 4 C5'-C4'-O4' 143.931 21.582 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 1.291 " O4'" " C4'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.638 17.471 3 C5'-C4'-O4' 136.683 17.052 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.247 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.736 26.322 3 C5'-C4'-O4' 160.15 31.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.27 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.641 17.695 3 C5'-C4'-O4' 143.921 21.575 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.417 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.493 4.262 3 C5'-C4'-O4' 131.123 13.577 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.209 " C4'" " O4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.698 22.943 3 C5'-C4'-O4' 156.316 29.323 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.547 ' OP2' H2'' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.081 -33.185 3 C5'-C4'-O4' 132.905 14.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.446 ' OP1' " H4'" ' B' ' 264' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.199 -22.453 4 C5'-C4'-O4' 144.111 21.694 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.46 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.443 4 C5'-C4'-O4' 133.303 14.939 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.552 9.665 3 O4'-C4'-C3' 95.209 -10.391 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.565 H2'' ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.461 4 C5'-C4'-O4' 137.213 17.383 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.565 ' H71' H2'' ' C' ' 351' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.375 -6.486 2 C1'-O4'-C4' 116.019 4.514 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.502 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.577 11.931 3 C5'-C4'-O4' 155.947 29.092 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.58 ' OP2' ' CZ2' ' A' ' 77' ' ' TRP . . . . . . . . 1 O4'--C4' 1.607 14.602 3 O4'-C4'-C3' 92.01 -13.59 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.653 ' H72' ' CD ' ' A' ' 52' ' ' ARG . . . . . . . . 0 O4'--C4' 1.478 2.915 3 C5'-C4'-O4' 134.763 15.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.583 ' C7 ' ' NH2' ' A' ' 52' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.462 4 C5'-C4'-O4' 147.143 23.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.678 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.359 -7.908 4 C5'-C4'-O4' 146.114 22.946 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.768 " H2'" ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.152 -26.737 3 C5'-C4'-O4' 88.95 -12.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.958 " H2'" ' H71' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.139 -27.946 3 C5'-C4'-O4' 141.336 19.96 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.958 ' H71' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.527 7.377 3 O4'-C4'-C3' 89.955 -15.645 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.451 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.486 3.658 4 C5'-C4'-O4' 143.307 21.192 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.291 -14.1 3 C5'-C4'-O4' 139.294 18.684 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.561 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.428 -1.672 3 O4'-C4'-C3' 101.12 -4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.255 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.648 18.341 3 O4'-C4'-C3' 92.676 -12.924 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.245 -18.271 3 C5'-C4'-O4' 95.377 -8.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 3' ' ' LYS . 31.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.667 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 11.7 tptp -94.45 -51.3 0.25 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HD3' ' HB3' ' A' ' 3' ' ' LYS . 18.2 Cg_endo -75.02 169.98 21.42 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 33.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.857 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -124.5 94.05 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 m -81.67 -149.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 50' ' ' SER . 99.1 m-85 -63.52 -45.98 88.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.775 HD11 ' OD1' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -38.81 -47.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.857 ' HB1' ' CD2' ' A' ' 6' ' ' TYR . . . -57.63 -49.79 75.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.5 mm? -59.24 -34.05 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.94 HD12 ' HG ' ' A' ' 55' ' ' LEU . 33.5 mm -69.24 -60.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 9' ' ' ILE . 68.7 p -41.49 -38.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mmm -77.16 -37.03 54.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB1' ' CG1' ' A' ' 29' ' ' ILE . . . -64.91 -30.92 71.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 HD13 HD11 ' A' ' 24' ' ' LEU . 33.0 mm -86.06 -51.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 13' ' ' THR . 3.2 mp -55.6 -48.45 74.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 1.5 pp0? -48.97 -24.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 p -120.31 72.88 20.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -74.99 -5.36 16.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.4 tt0 -69.29 -94.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 174.72 69.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -178.79 127.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 16' ' ' ILE . 1.8 mm? -124.48 160.63 27.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 75' ' ' ASN . 15.3 m -154.13 113.02 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 77' ' ' TRP . 3.0 tm? -55.3 -56.81 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -49.8 -52.13 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.953 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 -37.13 92.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.632 ' CG1' ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -63.74 -59.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.529 ' N ' HG22 ' A' ' 29' ' ' ILE . 53.4 t -45.0 -41.0 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 108.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -44.37 86.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.11 -18.66 64.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.725 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 39.3 mm -79.97 -51.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.5 p -60.4 -50.58 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -45.16 81.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 7.4 mmm180 -66.73 -49.72 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 11' ' ' LEU . 15.6 m-85 -127.33 118.72 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -51.21 -38.34 51.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.645 ' CD2' ' CH2' ' A' ' 47' ' ' TRP . 11.9 m-30 -62.35 -40.69 97.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -9.4 59.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -52.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 44' ' ' PHE . 1.3 ttmp? -78.44 -54.34 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 47' ' ' TRP . 2.0 t80 26.38 62.94 0.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -75.0 -10.83 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 163.47 55.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' CZ3' HG21 ' A' ' 33' ' ' ILE . 5.7 m95 -76.51 -2.11 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.49 ' CG ' ' NH2' ' A' ' 52' ' ' ARG . 1.2 tm0? -79.0 -54.95 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' ND2' ' N7 ' ' B' ' 259' ' ' ' DA' . 0.4 OUTLIER -74.32 -38.64 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.846 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 50.9 m -60.2 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.619 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 14.8 mm -53.72 -61.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' A' ' 48' ' ' GLN . 12.8 mtm-85 -48.86 -36.11 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.743 ' HE2' ' H62' ' B' ' 256' ' ' ' DA' . 1.6 t-80 -65.04 -60.59 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.46 ' CB ' HG13 ' A' ' 12' ' ' ILE . 28.5 m-80 -67.16 -10.06 46.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.94 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -82.95 -57.17 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.78 -49.77 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' NE2' ' A' ' 53' ' ' HIS . 1.9 tt -73.95 76.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.775 ' OD1' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER 162.41 -62.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 27.2 m-20 -66.84 -60.8 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 87.12 55.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.789 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -118.11 -163.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' C ' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m -116.78 151.75 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' CE3' ' A' ' 77' ' ' TRP . 3.7 mtmm -132.85 167.29 20.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.881 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.1 tt -114.68 121.03 36.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' HA ' " O3'" ' C' ' 353' ' ' ' DT' . 18.3 Cg_endo -75.03 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 116.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.33 163.88 16.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.25 3.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.95 46.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 74' ' ' GLY . 1.4 m-20 -119.6 93.86 47.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' A' ' 74' ' ' GLY . 18.4 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.426 ' HA2' ' P ' ' C' ' 352' ' ' ' DT' . . . 92.65 -41.19 2.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 13.6 mttt -144.14 65.4 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 70' ' ' ASN . . . -133.81 74.99 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.722 ' O ' HG23 ' A' ' 25' ' ' THR . 33.7 p-10 -137.96 -173.35 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.881 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -161.91 151.98 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 21.3 m0 -119.95 175.81 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 107.994 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 39.1 m -145.58 124.03 12.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 ' HD2' ' A' ' 61' ' ' PHE . 4.5 tt -114.93 153.43 30.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -81.98 146.54 55.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG3' ' CE ' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 78.37 2.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 179.31 40.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -80.26 -39.1 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.52 -45.09 81.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -42.4 92.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.19 -36.44 75.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.502 ' CZ ' HG22 ' A' ' 13' ' ' THR . 3.8 m-85 -69.55 -55.3 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.8 -50.81 60.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -81.43 78.4 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.73 113.05 3.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.9 p -95.91 27.03 3.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 91' ' ' SER . 62.8 m-85 -157.99 -60.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER 37.11 86.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 5.6 ttp180 -106.89 40.99 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -144.09 -66.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -179.15 -44.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ARG . 5.6 mtpt -130.91 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.628 ' NH2' HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.237 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.512 " H1'" ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.553 9.75 3 C5'-C4'-O4' 86.532 -14.293 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.652 ' C6 ' ' H72' ' B' ' 251' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.41 4 C5'-C4'-O4' 97.51 -7.431 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.652 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.611 14.958 3 C5'-C4'-O4' 152.789 27.118 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.476 4 C5'-C4'-O4' 148.339 24.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.511 4 C5'-C4'-O4' 148.911 24.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.515 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.106 -30.865 2 C1'-O4'-C4' 120.995 8.068 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.236 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.741 26.831 3 O4'-C4'-C3' 80.418 -25.182 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 1.324 " C4'" " O4'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.651 18.677 3 C5'-C4'-O4' 152.695 27.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.846 ' H72' ' HA ' ' A' ' 50' ' ' SER . . . . . . . . 1 O4'--C4' 1.329 -10.679 4 C5'-C4'-O4' 148.176 24.235 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.505 " C2'" " O5'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.15 -26.91 3 C5'-C4'-O4' 96.386 -8.134 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.616 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.082 -33.05 3 C5'-C4'-O4' 134.87 15.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 0.616 " H4'" " H1'" ' B' ' 259' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.504 5.255 3 C5'-C4'-O4' 152.782 27.114 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.492 4.187 3 O4'-C4'-C3' 99.123 -6.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.414 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.524 7.079 3 C5'-C4'-O4' 135.937 16.585 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.248 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.642 17.773 3 C5'-C4'-O4' 154.19 27.994 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.61 4 C5'-C4'-O4' 150.019 25.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.541 8.643 4 C5'-C4'-O4' 138.525 18.203 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.506 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.875 4 O4'-C4'-C3' 96.028 -9.572 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.506 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.562 10.577 3 O4'-C4'-C3' 95.128 -10.472 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.5 " C2'" ' H71' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.468 2.02 4 C5'-C4'-O4' 139.085 18.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.5 ' H71' " C2'" ' C' ' 351' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.504 -1.447 3 C5'-C4'-O4' 119.1 6.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.442 " O3'" ' HA ' ' A' ' 65' ' ' PRO . . . . . . . . 1 O4'--C4' 1.5 4.868 4 C5'-C4'-O4' 150.982 25.989 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 1.3 " C4'" " O4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.641 17.75 3 O4'-C4'-C3' 93.011 -12.589 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.473 ' C2 ' ' C5 ' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.589 13.023 3 C5'-C4'-O4' 143.088 21.055 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.473 ' C5 ' ' C2 ' ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.532 7.782 4 C5'-C4'-O4' 148.185 24.24 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.492 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.523 7.025 3 C5'-C4'-O4' 138.507 18.192 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.7 " H4'" ' OP1' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.126 -29.096 3 C5'-C4'-O4' 130.58 13.237 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 0.959 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 2.054 55.245 3 O4'-C4'-C3' 72.037 -33.563 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.616 ' H72' " H2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.48 3.129 4 O4'-C4'-C3' 95.825 -9.775 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.413 H2'' ' OP2' ' C' ' 362' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.531 7.71 3 C5'-C4'-O4' 137.845 17.778 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . 0.413 ' OP2' H2'' ' C' ' 361' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.386 -5.413 4 C5'-C4'-O4' 147.493 23.808 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.562 " C4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.386 -5.427 2 C1'-O4'-C4' 116.108 4.577 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 1.331 " O4'" " C4'" ' C' ' 364' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.631 16.808 2 O4'-C4'-C3' 92.6 -13.0 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.279 -15.146 3 C5'-C4'-O4' 94.152 -9.53 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.768 HG13 ' CG ' ' A' ' 39' ' ' TYR . 58.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -36.78 137.07 0.57 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HG2' ' CZ ' ' A' ' 6' ' ' TYR . 18.1 Cg_endo -75.04 178.87 6.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.0 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CZ ' ' HG2' ' A' ' 4' ' ' PRO . 5.8 m-30 -112.61 167.02 10.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.68 ' HA ' ' OP1' ' B' ' 256' ' ' ' DA' . 1.9 p -68.86 97.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CZ ' ' CZ2' ' A' ' 47' ' ' TRP . 4.9 m-30 -45.51 -44.0 12.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.012 ' O ' HG23 ' A' ' 13' ' ' THR . 16.8 pt -45.72 -41.8 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -63.01 -56.34 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.593 HD13 ' CE2' ' A' ' 37' ' ' PHE . 51.8 mt -55.96 -25.94 45.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -51.38 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 1.012 HG23 ' O ' ' A' ' 9' ' ' ILE . 45.7 p -48.93 -39.5 26.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 8.9 ptm -78.11 -28.76 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . . . -74.2 -29.33 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.764 HD12 ' HG ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.55 -33.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 84' ' ' GLU . 2.2 mp -68.35 -24.07 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -67.07 -23.45 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -118.7 73.07 11.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.2 Cg_endo -75.01 -3.92 14.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.42 -0.96 24.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 79' ' ' LEU . 1.2 ttpp 71.48 65.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.4 pttt -172.36 127.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.764 ' HG ' HD12 ' A' ' 16' ' ' ILE . 4.0 mm? -133.81 173.17 11.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 75' ' ' ASN . 81.6 m -156.85 107.09 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -42.66 -46.49 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 34.0 t -57.67 -52.6 64.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' PHE . . . -64.91 -22.7 68.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.691 HD13 HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -78.18 -45.84 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -60.96 -33.64 73.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -41.1 27.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -63.6 -34.54 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.835 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 2.1 mt -83.91 -47.7 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 m -53.33 -44.71 68.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.62 -43.45 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -68.53 -38.32 80.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 11' ' ' LEU . 3.2 m-85 -118.48 104.04 48.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.05 -36.91 2.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.768 ' CG ' HG13 ' A' ' 2' ' ' VAL . 4.0 t80 -67.07 -40.0 86.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -65.05 -52.65 54.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.955 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.625 ' HA ' ' CD1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.95 -15.32 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -77.01 -49.7 14.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -78.63 -48.72 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.686 ' CE1' ' CB ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 24.28 64.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.538 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.4 Cg_endo -74.94 -12.91 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 173.15 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.851 ' CZ3' HD13 ' A' ' 51' ' ' ILE . 2.1 m95 -70.12 -6.49 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 6.6 tt0 -70.34 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.527 ' HA ' ' CD ' ' A' ' 52' ' ' ARG . 80.2 m-20 -76.69 -25.29 53.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.579 ' HA ' ' H72' ' B' ' 257' ' ' ' DT' . 2.4 m -63.78 -59.44 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.851 HD13 ' CZ3' ' A' ' 47' ' ' TRP . 6.6 tp -63.25 -56.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NH1' ' C8 ' ' C' ' 354' ' ' ' DG' . 0.2 OUTLIER -48.5 -37.28 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.843 ' CE1' HD22 ' A' ' 57' ' ' LEU . 31.9 t60 -64.38 -56.61 13.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.604 HD22 HG23 ' A' ' 9' ' ' ILE . 8.4 m120 -68.76 -10.01 54.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -84.14 -55.48 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 p -77.49 -51.23 11.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.843 HD22 ' CE1' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -70.95 75.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER 168.56 -71.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.633 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 5.7 m-20 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.91 56.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.329 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.927 ' HB3' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -115.14 -161.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 ' HB ' ' A' ' 78' ' ' THR . 35.2 m -116.52 159.27 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HE3' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 ptmt -141.8 166.62 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 65' ' ' PRO . 1.1 pp -117.22 122.51 31.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.558 ' O ' HD12 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.0 -170.04 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.57 104.64 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -95.0 165.27 17.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.442 ' CD ' ' HG2' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 56.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.408 ' C ' ' HD3' ' A' ' 71' ' ' PRO . . . 165.74 47.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 84.6 m-20 -136.04 59.94 31.35 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 18.4 Cg_endo -74.98 100.94 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.95 -97.26 0.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HA ' ' OP1' ' C' ' 353' ' ' ' DT' . 0.1 OUTLIER -140.59 54.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.47 147.3 16.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' THR . 14.1 p-10 179.62 -176.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.724 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 75' ' ' ASN . 10.4 m-85 -159.49 141.28 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.597 ' CZ3' ' HE3' ' A' ' 63' ' ' LYS . 18.9 m0 -118.06 164.7 14.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.544 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.8 m -135.81 120.26 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD22 ' H ' ' A' ' 80' ' ' ASP . 1.4 tm? -121.58 140.63 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.936 ' H ' HD22 ' A' ' 79' ' ' LEU . 3.0 t70 -66.34 147.58 98.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 18.2 Cg_endo -75.03 86.39 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 164.92 40.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.8 t -80.63 -25.44 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -84.76 -39.81 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.6 -45.84 92.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -11.84 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.902 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.3 t80 -82.37 -57.86 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -53.44 -48.82 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -42.44 -54.38 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.44 -53.24 10.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.94 57.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -61.67 -45.92 91.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 66.59 172.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 6' ' ' TYR . 20.9 tpt180 -104.03 97.3 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.9 66.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -155.97 42.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.6 tptt 179.88 120.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.4 ' HB2' ' OP1' ' C' ' 364' ' ' ' DG' . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.582 H2'' " C5'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.233 -19.367 2 C5'-C4'-O4' 87.139 -13.913 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.611 H5'' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.503 -1.492 4 O4'-C4'-C3' 94.505 -11.095 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.593 ' H72' " C2'" ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.59 13.055 3 C5'-C4'-O4' 155.92 29.075 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.334 -10.175 4 C5'-C4'-O4' 146.688 23.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . 0.459 " C2'" " O5'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.124 -29.239 3 C5'-C4'-O4' 91.099 -11.438 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.462 H2'' " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.112 -30.368 3 C5'-C4'-O4' 139.82 19.013 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 1.28 " C4'" " O4'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.643 17.91 3 C5'-C4'-O4' 159.674 31.421 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.725 ' OP2' H2'' ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.553 9.723 3 C5'-C4'-O4' 154.894 28.434 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 1.23 " C4'" " O4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.729 25.721 3 C5'-C4'-O4' 152.398 26.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.565 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.539 8.443 3 C5'-C4'-O4' 144.703 22.064 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.473 ' N7 ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . 1 O4'--C4' 1.581 12.241 3 C5'-C4'-O4' 145.714 22.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.224 " C4'" " O4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.722 25.07 3 C5'-C4'-O4' 160.185 31.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . 1.252 " O4'" " C4'" ' B' ' 261' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.661 19.588 3 C5'-C4'-O4' 142.506 20.691 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.512 H2'' ' H71' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.573 11.51 3 C5'-C4'-O4' 140.348 19.343 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 1.193 " O4'" " C4'" ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.765 28.975 3 C5'-C4'-O4' 161.492 32.558 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . 0.422 ' OP2' H2'' ' B' ' 263' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.327 4 C5'-C4'-O4' 150.796 25.873 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . 0.422 ' OP1' ' HD3' ' A' ' 68' ' ' PRO . . . . . . . . 1 O4'--C4' 1.544 8.885 4 C5'-C4'-O4' 138.858 18.412 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.973 4 O4'-C4'-C3' 95.335 -10.265 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.561 10.484 3 O4'-C4'-C3' 95.07 -10.53 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.56 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.503 -1.508 4 C5'-C4'-O4' 138.522 18.201 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.56 ' H72' ' C8 ' ' C' ' 351' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.465 1.72 4 C5'-C4'-O4' 129.05 12.282 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.547 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.603 14.318 3 C5'-C4'-O4' 151.708 26.442 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 0.669 ' C8 ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.613 15.157 3 C5'-C4'-O4' 136.727 17.079 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.625 ' H71' ' HD3' ' A' ' 52' ' ' ARG . . . . . . . . 1 O4'--C4' 1.509 5.769 3 C5'-C4'-O4' 129.431 12.519 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.75 4 C5'-C4'-O4' 140.262 19.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.565 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.562 10.557 3 C5'-C4'-O4' 146.781 23.363 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.583 ' C6 ' ' H72' ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.61 14.952 3 C5'-C4'-O4' 153.403 27.502 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.156 " C4'" " O4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.807 32.786 3 C5'-C4'-O4' 158.833 30.896 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.625 ' H71' " C2'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.519 6.609 3 O4'-C4'-C3' 93.829 -11.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.482 3.298 4 C5'-C4'-O4' 140.804 19.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.313 4 C5'-C4'-O4' 146.956 23.472 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.615 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.407 -3.558 3 O4'-C4'-C3' 101.032 -4.568 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.615 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.615 15.327 2 O4'-C4'-C3' 92.494 -13.106 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.265 -16.491 3 C5'-C4'-O4' 94.542 -9.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.463 HG22 ' CG ' ' A' ' 39' ' ' TYR . 17.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.632 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -110.96 -66.17 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 3' ' ' LYS . 18.4 Cg_endo -75.07 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 18.3 Cg_endo -75.02 157.01 42.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.76 146.18 34.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.45 ' HB3' ' OP2' ' B' ' 256' ' ' ' DA' . 19.3 p -68.77 159.19 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' O ' HD13 ' A' ' 12' ' ' ILE . 14.5 m-85 -81.28 -28.07 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.001 HD11 ' HD3' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -45.09 -40.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -57.04 -52.58 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 37' ' ' PHE . 1.4 mm? -61.22 -29.82 70.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 8' ' ' TYR . 1.7 mp -68.66 -55.82 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' ILE . 69.2 p -47.78 -40.88 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttp -74.3 -30.2 61.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 32' ' ' PHE . . . -68.16 -42.22 80.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 55' ' ' LEU . 1.7 mp -74.39 -33.62 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 13' ' ' THR . 3.6 mm? -69.96 -34.51 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' C ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -68.87 -19.56 64.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 21' ' ' GLN . 5.9 p -125.76 67.09 58.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HD3' ' C ' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.96 40.59 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 19' ' ' SER . 16.2 tt0 -122.65 -5.82 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER 70.59 59.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tttm 179.92 106.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.702 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -145.37 152.96 40.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' ASN . 24.5 m -108.09 114.85 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -43.39 -49.7 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 35.8 t -51.47 -52.76 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.97 -28.74 72.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 mp -67.94 -56.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.8 t -50.52 -40.92 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.329 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.74 -36.85 83.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -72.74 -20.03 61.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 32' ' ' PHE . 19.1 mm -80.76 -40.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -61.42 -54.96 36.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.92 -40.46 57.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -73.76 -51.13 17.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 41.6 m-85 -122.72 112.45 30.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.463 ' CG ' HG22 ' A' ' 2' ' ' VAL . 9.2 m-85 -53.3 -40.73 64.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' CG ' ' CH2' ' A' ' 47' ' ' TRP . 14.4 m-30 -63.45 -40.49 97.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -16.13 56.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.11 -50.77 18.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 44' ' ' PHE . 6.8 tttp -80.11 -50.68 9.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.648 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 0.4 OUTLIER 25.2 66.24 0.44 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.74 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 18.2 Cg_endo -75.0 -12.54 21.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.553 1.817 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 45' ' ' PRO . . . 159.47 62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' A' ' 44' ' ' PHE . 15.5 m95 -83.05 14.8 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.03 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 52' ' ' ARG . 4.4 tm0? -80.65 -77.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 50' ' ' SER . 16.5 p30 -77.93 -28.08 49.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' H72' ' B' ' 257' ' ' ' DT' . 70.3 m -57.88 -57.99 10.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 47' ' ' TRP . 1.7 mp -68.75 -45.57 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 4.8 mtt180 -53.14 -38.91 63.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.642 ' CD2' ' N6 ' ' C' ' 357' ' ' ' DA' . 0.4 OUTLIER -67.99 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.494 ' CG ' HG22 ' A' ' 9' ' ' ILE . 1.2 m-20 -57.7 -14.29 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -79.98 -51.31 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 9.0 t -80.06 -51.65 8.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 3.9 mm? -72.44 76.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 2.4 m120 170.73 -59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 62.0 m-20 -76.05 -48.77 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.35 67.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -129.75 -166.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 ' HB ' ' A' ' 78' ' ' THR . 34.6 m -118.62 153.39 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -135.0 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 76' ' ' TYR . 7.2 tt -121.41 128.6 25.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.433 ' HB2' ' NH1' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -38.13 111.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 9.0 tp10 -88.54 137.89 30.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' GLU . 18.3 Cg_endo -75.0 81.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.44 -61.52 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 13.9 p-10 -117.06 97.34 50.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 72' ' ' GLY . 18.1 Cg_endo -75.07 -93.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.568 1.825 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 71' ' ' PRO . . . 15.04 -90.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' PRO . 6.9 mtmt -139.92 34.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.47 122.51 6.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.558 1.162 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 25' ' ' THR . 15.5 p-10 -163.02 179.01 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 1.049 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -154.86 140.6 18.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 63' ' ' LYS . 14.2 m0 -118.69 139.91 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.488 ' HB ' HG23 ' A' ' 62' ' ' VAL . 89.0 m -117.37 135.76 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 80' ' ' ASP . 6.4 tt -116.29 160.57 20.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.677 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.1 m-20 -68.97 151.5 97.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -74.96 78.74 2.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 1.8 mt-30 167.44 46.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.538 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.9 t -77.49 -47.19 20.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.58 -32.26 72.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -66.32 -55.37 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 83' ' ' SER . 12.7 ptm -63.03 -12.9 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CE1' ' HB ' ' A' ' 13' ' ' THR . 2.5 m-85 -114.96 19.93 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -101.3 -62.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -68.28 124.05 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.31 -129.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.9 m 65.35 8.04 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -152.43 30.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 94' ' ' ARG . 0.8 OUTLIER -86.83 59.39 5.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HB2' ' CB ' ' A' ' 98' ' ' ARG . 0.8 OUTLIER 58.64 153.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.57 ' HD3' " H4'" ' C' ' 363' ' ' ' DA' . 66.3 mtt85 -38.37 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -137.56 -53.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.518 ' C ' ' HD2' ' A' ' 94' ' ' ARG . 4.9 ttpt -177.55 108.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 1.001 ' HD3' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 249' ' ' ' DG' . . . . . 0.649 " O4'" ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 4.222 252.356 4 O4'-C4'-C3' 33.246 -72.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 250' ' ' ' DC' . . . . . 0.649 ' C6 ' " O4'" ' B' ' 249' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.571 11.328 2 O4'-C4'-C3' 95.823 -9.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 251' ' ' ' DT' . . . . . 0.575 ' H72' ' C6 ' ' B' ' 250' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.614 15.267 3 C5'-C4'-O4' 135.785 16.491 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 252' ' ' ' DT' . . . . . 0.517 ' H72' ' C6 ' ' B' ' 251' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.546 9.088 3 C5'-C4'-O4' 140.783 19.614 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 253' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.459 4 C5'-C4'-O4' 136.694 17.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 254' ' ' ' DA' . . . . . 0.549 " C2'" " O5'" ' B' ' 255' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.079 -33.402 3 C5'-C4'-O4' 129.58 12.613 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 255' ' ' ' DA' . . . . . 0.549 " O5'" " C2'" ' B' ' 254' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.183 -23.951 3 C5'-C4'-O4' 141.388 19.992 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 256' ' ' ' DA' . . . . . 0.672 " H1'" " H4'" ' B' ' 257' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.103 -31.146 3 C5'-C4'-O4' 139.399 18.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 257' ' ' ' DT' . . . . . 0.672 " H4'" " H1'" ' B' ' 256' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.527 7.402 3 C5'-C4'-O4' 147.972 24.108 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 258' ' ' ' DA' . . . . . 0.784 ' C2 ' ' C2 ' ' C' ' 357' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.47 2.207 4 C5'-C4'-O4' 130.77 13.356 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 259' ' ' ' DA' . . . . . 0.43 " H1'" " H4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.582 12.377 3 C5'-C4'-O4' 151.528 26.33 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 260' ' ' ' DC' . . . . . 1.182 " O4'" " C4'" ' B' ' 260' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.787 30.978 3 C5'-C4'-O4' 155.398 28.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 261' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.62 15.848 3 C5'-C4'-O4' 146.99 23.494 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 262' ' ' ' DA' . . . . . 0.587 ' C8 ' ' H72' ' B' ' 263' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.613 15.15 3 C5'-C4'-O4' 154.904 28.44 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 263' ' ' ' DT' . . . . . 0.587 ' H72' ' C8 ' ' B' ' 262' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.603 14.258 3 C5'-C4'-O4' 149.152 24.845 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 264' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.319 4 C5'-C4'-O4' 127.953 11.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 265' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.578 11.999 3 C5'-C4'-O4' 142.783 20.864 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' C' C ' 349' ' ' ' DG' . . . . . 0.48 H2'' ' OP2' ' C' ' 350' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.374 -6.563 4 O4'-C4'-C3' 99.372 -6.228 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 350' ' ' ' DT' . . . . . 0.48 ' OP2' H2'' ' C' ' 349' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.578 12.017 3 O4'-C4'-C3' 94.47 -11.13 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 351' ' ' ' DA' . . . . . 0.46 ' C8 ' ' H72' ' C' ' 352' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.504 -1.448 4 C5'-C4'-O4' 142.695 20.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 352' ' ' ' DT' . . . . . 0.593 ' C6 ' ' H72' ' C' ' 353' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.399 -4.285 4 C1'-O4'-C4' 116.159 4.613 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 353' ' ' ' DT' . . . . . 0.593 ' H72' ' C6 ' ' C' ' 352' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.539 8.416 4 C5'-C4'-O4' 154.019 27.887 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 354' ' ' ' DG' . . . . . 1.22 " O4'" " C4'" ' C' ' 354' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.655 19.02 3 C5'-C4'-O4' 149.118 24.824 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 355' ' ' ' DT' . . . . . 0.768 " H4'" ' OP1' ' C' ' 356' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.113 -30.303 3 C5'-C4'-O4' 130.585 13.241 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 356' ' ' ' DT' . . . . . 0.768 ' OP1' " H4'" ' C' ' 355' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.368 -7.046 4 C5'-C4'-O4' 149.966 25.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 357' ' ' ' DA' . . . . . 0.784 ' C2 ' ' C2 ' ' B' ' 258' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.529 7.512 3 C5'-C4'-O4' 147.52 23.825 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 358' ' ' ' DT' . . . . . 0.629 ' H71' " C2'" ' C' ' 357' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.513 6.096 4 C5'-C4'-O4' 144.577 21.986 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 359' ' ' ' DT' . . . . . 1.208 " O4'" " C4'" ' C' ' 359' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.797 31.949 3 C5'-C4'-O4' 150.575 25.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 360' ' ' ' DT' . . . . . 0.63 ' H72' ' C6 ' ' C' ' 359' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.014 4 C5'-C4'-O4' 89.213 -12.617 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 361' ' ' ' DT' . . . . . 0.428 ' H72' ' C6 ' ' C' ' 360' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.576 11.816 3 C5'-C4'-O4' 148.732 24.582 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 362' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.281 -15.002 3 C5'-C4'-O4' 130.965 13.478 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' C' C ' 363' ' ' ' DA' . . . . . 0.591 " O4'" ' OP1' ' C' ' 364' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.468 2.015 3 O4'-C4'-C3' 100.189 -5.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 364' ' ' ' DG' . . . . . 0.591 ' OP1' " O4'" ' C' ' 363' ' ' ' DA' . . . . . . . . 1 O4'--C4' 1.582 12.364 3 O4'-C4'-C3' 94.649 -10.951 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 365' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.28 -15.104 3 C5'-C4'-O4' 92.547 -10.533 . . . . 0.0 . . . . . . . . . . 2 1 . 1 stop_ save_